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

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15d-PGA1

	Properties	Image
MNX_ID	MNXM33480
reference	chebi:185661
formula	C₂₀H₃₀O₃
global charge	0
mol weight	318.457
InChIKey	LDOCIRJMPUHXRM-YUJGFSRTSA-N
InChI	InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1
SMILES	CCCCC/C=C/C=C1/C=CC(=O)[C@@H]1CCCCCCC(=O)O

MNX internals

InChI (mnx)	InChI=1/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]/[CH:12]=[C:17]1/[CH:15]=[CH:16][C:19](=[O:21])[C@@H:18]1[CH2:13][CH2:10][CH2:7][CH2:8][CH2:11][CH2:14][C:20](=[O:22])[OH:23]

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:185661 chebi:185661 LDOCIRJMPUHXRM-YUJGFSRTSA-N	15d-PGA1 7-[(1R,2Z)-2-[(E)-oct-2-enylidene]-5-oxocyclopent-3-en-1-yl]heptanoic acid
lipidmaps:LMFA03010171 lipidmapsM:LMFA03010171 LDOCIRJMPUHXRM-YUJGFSRTSA-N	15d-PGA1 15d-Prostaglandin A1 9-oxo-10,12Z,14E-prostatrienoic acid FA 20:5 O