MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ox-LGD2

	Properties	Image
MNX_ID	MNXM107462
reference	chebi:184979
formula	C₂₀H₃₀O₆
global charge	0
mol weight	366.454
InChIKey	RAQOIYLDXSAKSS-DPLATEDBSA-N
InChI	InChI=1S/C20H30O6/c1-3-4-7-10-15(21)13-14-17-16(19(24)26-20(17,2)25)11-8-5-6-9-12-18(22)23/h5,8,13-15,21,25H,3-4,6-7,9-12H2,1-2H3,(H,22,23)/b8-5-,14-13+/t15-,20?/m0/s1
SMILES	CCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)C(=O)OC1(C)O

MNX internals

InChI (mnx)	InChI=1/C20H30O6/c1-3-4-7-10-15(21)13-14-17-16(19(24)26-20(17,2)25)11-8-5-6-9-12-18(22)23/h5,8,13-15,21,25H,3-4,6-7,9-12H2,1-2H3,(H,22,23)/b8-5-,14-13+/t15-,20?/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:7][CH2:10][C@@H:15](/[CH:13]=[CH:14]/[C:17]1=[C:16]([CH2:11]/[CH:8]=[CH:5]\[CH2:6][CH2:9][CH2:12][C:18](=[O:22])[OH:23])[C:19](=[O:24])[O:26][C:20]1([CH3:2])[OH:25])[OH:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:184979 chebi:184979 RAQOIYLDXSAKSS-DPLATEDBSA-N	ox-LGD2 (Z)-7-[5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-5-methyl-2-oxouran-3-yl]hept-5-enoic acid
lipidmaps:LMFA03100037 lipidmapsM:LMFA03100037 RAQOIYLDXSAKSS-DPLATEDBSA-N	ox-LGD2 9,10-seco-9-carboxy-11,11,15S-trihydroxy-5Z,8(12),13E-prostatrienoic acid 9,11-lactone FA 20:5 O4