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11,12-dihydro-(12R)-hydroxyleukotriene C4(2-)

PropertiesImage
MNX_IDMNXM729325 Image of MNXM729325
referencechebi:133441
formulaC30H47N3O10S
global charge-2
mol weight641.784
InChIKeyGULYHEJDDHEDJT-GJUYVLLESA-L
InChIInChI=1S/C30H49N3O10S/c1-2-3-4-5-6-8-12-21(34)13-9-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h6-10,15,21-25,34-35H,2-5,11-14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b8-6-,9-7+,15-10+/t21-,22+,23+,24+,25-/m1/s1
SMILESCCCCC/C=C\C[C@@H](O)C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C30H49N3O10S/c1-2-3-4-5-6-8-12-21(34)13-9-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h6-10,15,21-25,34-35H,2-5,11-14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b8-6-,9-7+,15-10+/t21-,22+,23+,24+,25-/m1/s1 Image of MNXM729325
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:8]\[CH2:12][C@H:21]([CH2:13]/[CH:9]=[CH:7]/[CH:10]=[CH:15]/[C@H:25]([C@H:24]([CH2:14][CH2:11][CH2:16][C:27](=[O:37])[OH:38])[OH:35])[S:44][CH2:20][C@@H:23]([C:29](=[N:32][CH2:19][C:28](=[O:39])[OH:40])[OH:41])[N:33]=[C:26]([CH2:18][CH2:17][C@@H:22]([C:30](=[O:42])[OH:43])[NH2:31])[OH:36])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133441
chebi:133441
GULYHEJDDHEDJT-GJUYVLLESA-L 		11,12-dihydro-(12R)-hydroxyleukotriene C4(2-)
(5S,6R,7E,9E,12R,14Z)-6-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5,12-dihydroxyicosa-7,9,14-trienoate
hmdb:HMDB0060155
GULYHEJDDHEDJT-GJUYVLLESA-N 		10,11-Dihydro-12R-hydroxy-leukotriene C4
(5S,6R,7E,9E,12S,14Z)-6-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-(carboxymethyl-C-hydroxycarbonimidoyl)ethyl]sulfanyl}-5,12-dihydroxyicosa-7,9,14-trienoic acid
(5S,6R,7E,9E,12S,14Z)-6-{[(2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulfanyl}-5,12-dihydroxyicosa-7,9,14-trienoic acid

bigg.metabolite:CE4993
biggM:CE4993
vmhM:CE4993
vmhmetabolite:CE4993
GULYHEJDDHEDJT-GJUYVLLESA-L 		10,11-dihydro-12R-hydroxy-leukotriene C4

CHEBI:134519
chebi:134519
GULYHEJDDHEDJT-GJUYVLLESA-N 		11,12-dihydro-(12R)-hydroxyleukotriene C4
10,11-Dihydro-12R-hydroxy-leukotriene C4
11,12-dihydro-(12R)-hydroxy-leukotriene C4
11,12-dihydro-(12R)-hydroxyl-LTC4
L-gamma-glutamyl-S-[(4S,5R,6E,8E,11R,13Z)-1-carboxy-4,11-dihydroxynonadeca-6,8,13-trien-5-yl]-L-cysteinylglycine

hmdb:HMDB60155
biggM:M_CE4993
vmhM:M_CE4993 		secondary/obsolete/fantasy identifier