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6R-cysteinyl-12S-hydroxy-leukotriene B3

PropertiesImage
MNX_IDMNXM1593034 Image of MNXM1593034
referencevmhM:6rc12shltb3
vmhM:6rc12shltb3
formulaC23H38NO6S
global charge-1
mol weight456.625
InChIKeyYNKZKIFHRQPLCS-OOOPWLADSA-M
InChIInChI=1S/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,13,18-21,25-26H,2-5,11-12,14-17,24H2,1H3,(H,27,28)(H,29,30)/p-1/b8-6+,10-7+,13-9-/t18-,19-,20-,21+/m0/s1
SMILESCCCCC/C=C/C[C@H](O)/C=C\C=C\C[C@@H](SC[C@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C23H39NO6S/c1-2-3-4-5-6-8-12-18(25)13-9-7-10-15-21(31-17-19(24)23(29)30)20(26)14-11-16-22(27)28/h6-10,13,18-21,25-26H,2-5,11-12,14-17,24H2,1H3,(H,27,28)(H,29,30)/b8-6+,10-7+,13-9-/t18-,19-,20-,21+/m0/s1 Image of MNXM1593034
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:8]/[CH2:12][C@@H:18](/[CH:13]=[CH:9]\[CH:7]=[CH:10]\[CH2:15][C@H:21]([C@H:20]([CH2:14][CH2:11][CH2:16][C:22](=[O:27])[OH:28])[OH:26])[S:31][CH2:17][C@@H:19]([C:23](=[O:29])[OH:30])[NH2:24])[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:6rc12shltb3
vmhM:6rc12shltb3
vmhmetabolite:6rc12shltb3
vmhmetabolite:6rc12shltb3
YNKZKIFHRQPLCS-OOOPWLADSA-M 		6R-cysteinyl-12S-hydroxy-leukotriene B3

vmhM:M_6rc12shltb3 		secondary/obsolete/fantasy identifier