ChemSpider 2D Image | Leukotriene C4 | C30H47N3O9S

Leukotriene C4

  • Molecular FormulaC30H47N3O9S
  • Average mass625.774 Da
  • Monoisotopic mass625.303284 Da
  • ChemSpider ID4444133
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5S,6R,7E,9E,11Z,14Z)-6-({(2R,3Z)-2-{(E)-[(4S)-4-Amino-4-carboxy-1-hydroxybutyliden]amino}-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-({(2R,3Z)-2-{(E)-[(4S)-4-Amino-4-carboxy-1-hydroxybutylidene]amino}-3-[(carboxymethyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic acid, 6-[[(2R,3Z)-2-[[(1E,4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino]-3-[(carboxymethyl)imino]-3-hydroxypropyl]thio]-5-hydroxy-, (5S,6R,7E,9E,11Z,14Z)- [ACD/Index Name]
72025-60-6 [RN]
Acide (5S,6R,7E,9E,11Z,14Z)-6-({(2R,3Z)-2-{(E)-[(4S)-4-amino-4-carboxy-1-hydroxybutylidène]amino}-3-[(carboxyméthyl)imino]-3-hydroxypropyl}sulfanyl)-5-hydroxy-7,9,11,14-icosatétraénoïque [French] [ACD/IUPAC Name]
Glycine, L-γ-glutamyl-S-[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl]-L-cysteinyl- [ACD/Index Name]
Leucotriene C4
Leukotriene C4 [Wiki]

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

C02166 [DBID]
CHEBI:16978 [DBID]
LMFA03020003 [DBID]
  • Miscellaneous
    • Chemical Class:

      A leukotriene that is (5<stereo>S</stereo>,7<stereo>E</stereo>,9<stereo>E</stereo>,11<stereo>Z</stereo>,14<stereo>Z</stereo>)-5-hydroxyicosa-7,9,11,14-tetraenoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage. ChEBI CHEBI:16978

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

Density: 1.2±0.1 g/cm3
Boiling Point: 974.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.9±6.0 kJ/mol
Flash Point: 543.1±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 4.35
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 510.6±3.0 cm3

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