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

MNXM163405 is deprecated and here replaced by MNXM730712
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM730712

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	5

formula

C₃₀H₄₇N₃O₁₀S

charge

-2

mass

641.29931

reference

chebi:132200

InChIKey

JHBHHPKTNQAMGQ-MHUJEVIJSA-L

InChI

InChI=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

SMILES

CCCCC[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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132200 chebi:132200	(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	(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	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	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	Hepoxilin A3-C
biggM:M_CE6250	secondary/obsolete/fantasy identifier