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bilirubin

Molecular FormulaC₃₃H₃₆N₄O₆
Average mass584.662 Da
Monoisotopic mass584.263489 Da
ChemSpider ID4444055

- Double-bond stereo

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4Z,15Z)-Bilirubin IXa

(Z,Z)-Bilirubin

(Z,Z)-Bilirubin IXa

1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-Biline-8,12-dipropionic acid

1,3,6,7-Tetramethyl-4,5-dicarboxyethyl-2,8-divinyl-(b-13)-dihydrobilenone

211-239-7 [EINECS]

21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-

3-{2-({3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-yliden)methyl]-1H-pyrrol-2-yl}methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-yliden)methyl]-1H-pyrrol-3-yl}propansäure [German]

3-{2-({3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

635-65-4 [RN]

More...

74376 [Beilstein]

Acide 3-{2-({3-(2-carboxyéthyl)-5-[(Z)-(3-éthènyl-4-méthyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidène)méthyl]-4-méthyl-1H-pyrrol-2-yl}méthyl)-5-[(Z)-(4-éthènyl-3-méthyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidène)méthyl]-4-méthyl-1H-pyrrol-3-yl}propanoïque [French]

bilirubin [Wiki]

Bilirubin IXa

Bilirubin: 21H-Biline-8,12-dipropanoicacid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-,

Cholerythrin

DU3038000

MFCD00005499 [MDL number]

RFM9X3LJ49

1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-Biline-8,12-dipropionate

2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-Biline-8,12-dipropanoate

3-(2-((3-(2-carboxyethyl)-4-methyl-5-((3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoate

3-(2-((3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl)methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene

3-[2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate

3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate

1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionic acid

2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid

2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid

2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid

211-239-7MFCD00005499

3-(2-((3-(2-Carboxyethyl)-4-methyl-5-((3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid

3-(2-{[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid

3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid

3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]me

3-[2-[[3-(2-Carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

3-[2-[[3-(2-Carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

3-{2-({3-(2-carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene

3-{2-({3-(2-carboxyethyl)-4-methyl-5-[(Z)(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methyl)-4-methyl-5-[(Z)(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

4E,15Z-Bilirubin IXa

5-26-15-00523 [Beilstein]

5-26-15-00523 (Beilstein Handbook Reference) [Beilstein]

69853-43-6 [RN]

8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione

bilibubin

Biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-

Bilirubin - CAS 635-65-4 - Calbiochem

Bilirubin (α)

bilirubin IXalpha

Bilirubin IXα

Bilirubin IX-α

bilirubin(Z,Z)

bilirubin, [10-3h]-

BILIVERDINE IX α

BLA

BSPBio_002531

DU 3038000

EINECS 211-239-7

hematodin

HEMATOIDIN

Hemetoidin

HSCI1_000394

MFCD00078481 [MDL number]

NCGC00095645-01

Principal bile pigment

Pseudoginsenoside-F11

S00334a

SPECTRUM1500857

Spectrum5_000410

STOCK1N-16503

TL8004437

UNII:RFM9X3LJ49

UNII-RFM9X3LJ49

胆红素 [Chinese]

Less...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

14370_FLUKA [DBID]

AI3-23078 [DBID]

B4126_SIGMA [DBID]

BRN 0074376 [DBID]

C00486 [DBID]

CHEBI:16990 [DBID]

NSC 26685 [DBID]

SDCCGMLS-0066651.P001 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous

Target Organs:

Others TargetMol T2934

Chemical Class:

Bio Activity:

Others TargetMol T2934

Gas Chromatography
- Retention Index (Kovats):
  
  5080 (estimated with error: 89) NIST Spectra mainlib_231000, replib_63171, replib_157102

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:	1.4±0.1 g/cm³
Boiling Point:	925.2±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	141.0±3.0 kJ/mol
Flash Point:	513.3±34.3 °C
Index of Refraction:	1.722
Molar Refractivity:	168.4±0.3 cm³
#H bond acceptors:	10
#H bond donors:	6
#Freely Rotating Bonds:	12
#Rule of 5 Violations:	3

ACD/LogP:	2.55
ACD/LogD (pH 5.5):	0.87
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	10.03
ACD/LogD (pH 7.4):	-1.94
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	164 Å²
Polarizability:	66.8±0.5 10^-24cm³
Surface Tension:	74.5±3.0 dyne/cm
Molar Volume:	425.4±3.0 cm³

Click to predict properties on the Chemicalize site

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bilirubin

More details:

Target Organs:

Chemical Class:

Bio Activity:

Retention Index (Kovats):

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