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6R-cysteinylglycinyl-12R-hydroxy-leukotriene B3

PropertiesImage
MNX_IDMNXM1593035 Image of MNXM1593035
referencevmhM:6rcg12rhltb3
vmhM:6rcg12rhltb3
formulaC25H41N2O7S
global charge-1
mol weight513.677
InChIKeyRNQXMNVZSOKWLD-QJNHFAPSSA-M
InChIInChI=1S/C25H42N2O7S/c1-2-3-4-5-6-8-12-19(28)13-9-7-10-15-22(21(29)14-11-16-23(30)31)35-18-20(26)25(34)27-17-24(32)33/h6-10,13,19-22,28-29H,2-5,11-12,14-18,26H2,1H3,(H,27,34)(H,30,31)(H,32,33)/p-1/b8-6-,10-7+,13-9+/t19-,20+,21+,22-/m1/s1
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/C[C@@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C25H42N2O7S/c1-2-3-4-5-6-8-12-19(28)13-9-7-10-15-22(21(29)14-11-16-23(30)31)35-18-20(26)25(34)27-17-24(32)33/h6-10,13,19-22,28-29H,2-5,11-12,14-18,26H2,1H3,(H,27,34)(H,30,31)(H,32,33)/b8-6-,10-7+,13-9+/t19-,20+,21+,22-/m1/s1 Image of MNXM1593035
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:8]\[CH2:12][C@H:19](/[CH:13]=[CH:9]/[CH:7]=[CH:10]/[CH2:15][C@H:22]([C@H:21]([CH2:14][CH2:11][CH2:16][C:23]([OH:30])=[O:31])[OH:29])[S:35][CH2:18][C@@H:20]([C:25]([NH:27][CH2:17][C:24]([OH:32])=[O:33])=[O:34])[NH2:26])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:6rcg12rhltb3
vmhM:6rcg12rhltb3
vmhmetabolite:6rcg12rhltb3
vmhmetabolite:6rcg12rhltb3
RNQXMNVZSOKWLD-QJNHFAPSSA-M 		6R-cysteinylglycinyl-12R-hydroxy-leukotriene B3

vmhM:M_6rcg12rhltb3 		secondary/obsolete/fantasy identifier