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(11S,15S)-dihydroxy-14(R)-S-glutathionyl-(5Z,8Z,12E)-eicosatrienoate

PropertiesImage
MNX_IDMNXM730712 Image of MNXM730712
referencechebi:132200
formulaC30H47N3O10S
global charge-2
mol weight641.784
InChIKeyJHBHHPKTNQAMGQ-MHUJEVIJSA-L
InChIInChI=1S/C30H49N3O10S/c1-2-3-9-13-24(35)25(17-15-21(34)12-10-7-5-4-6-8-11-14-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-16-22(31)30(42)43/h4,6-7,10,15,17,21-25,34-35H,2-3,5,8-9,11-14,16,18-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b6-4-,10-7-,17-15+/t21-,22-,23-,24-,25+/m0/s1
SMILESCCCCC[C@H](O)[C@@H](/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)[O-])SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C30H49N3O10S/c1-2-3-9-13-24(35)25(17-15-21(34)12-10-7-5-4-6-8-11-14-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-16-22(31)30(42)43/h4,6-7,10,15,17,21-25,34-35H,2-3,5,8-9,11-14,16,18-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b6-4-,10-7-,17-15+/t21-,22-,23-,24-,25+/m0/s1 Image of MNXM730712
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:9][CH2:13][C@@H:24]([C@@H:25](/[CH:17]=[CH:15]/[C@H:21]([CH2:12]/[CH:10]=[CH:7]\[CH2:5]/[CH:4]=[CH:6]\[CH2:8][CH2:11][CH2:14][C:27](=[O:37])[OH:38])[OH:34])[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][CH2:16][C@@H:22]([C:30](=[O:42])[OH:43])[NH2:31])[OH:36])[OH:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132200
chebi:132200
JHBHHPKTNQAMGQ-MHUJEVIJSA-L 		(11S,15S)-dihydroxy-14(R)-S-glutathionyl-(5Z,8Z,12E)-eicosatrienoate
(5Z,8Z,11S,12E,14R,15S)-14-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-11,15-dihydroxyicosa-5,8,12-trienoate
11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoate(2-)

SLM:000501501
slm:000501501
JHBHHPKTNQAMGQ-MHUJEVIJSA-L 		(14S,15S)-hepoxilin A3-C (14R)
(11S,15S)-dihydroxy-(14R)-S-glutathionyl-(5Z,8Z,12E)-eicosatrienoate
(14S,15S)-HXA3-C (14R)

CHEBI:132883
chebi:132883
JHBHHPKTNQAMGQ-MHUJEVIJSA-N 		11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid
11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-eicosatrienoic acid
L-gamma-glutamyl-S-[(6S,7R,8E,10S,12Z,15Z)-19-carboxy-6,10-dihydroxynonadeca-8,12,15-trien-7-yl]-L-cysteinylglycine

lipidmaps:LMFA03090008
lipidmapsM:LMFA03090008
JHBHHPKTNQAMGQ-MHUJEVIJSA-N 		14,15-HxA3-C(11S)
11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid
14,15-Hepoxilin A3-C (11S)

bigg.metabolite:CE6250
biggM:CE6250
JHBHHPKTNQAMGQ-MHUJEVIJSA-L 		Hepoxilin A3-C

biggM:M_CE6250 		secondary/obsolete/fantasy identifier