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

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15-dehydro-prostaglandin I2

MNXM3792 is deprecated and here replaced by MNXM730904
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM730904
reference	chebi:57407
formula	C₂₀H₂₉O₅
global charge	-1
mol weight	349.447
InChIKey	YCLHGWBUIYKBPM-ABXKVQRYSA-M
InChI	InChI=1S/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)/p-1/b11-10+,15-8-/t16-,17-,18-,19+/m1/s1
SMILES	CCCCCC(=O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@H]2C[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-/t16-,17-,18-,19+/m1/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:7][C:14](/[CH:10]=[CH:11]/[C@@H:16]1[C@H:17]2[CH2:12]/[C:15](=[CH:8]/[CH2:5][CH2:6][CH2:9][C:20](=[O:23])[OH:24])[O:25][C@H:19]2[CH2:13][C@H:18]1[OH:22])=[O:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57407 chebi:57407 YCLHGWBUIYKBPM-ABXKVQRYSA-M	15-dehydro-prostaglandin I2 (5Z,13E)-6,9alpha-epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate 15-dehydro-prostaglandin I2(1-)
seed.compound:cpd02937 seedM:cpd02937 YCLHGWBUIYKBPM-ABXKVQRYSA-M	(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate (5Z,13E)-6,9-alpha-epoxy-11-alpha-hydroxy-15-oxoprosta-5,13-dienoate 15-dehydro-prostaglandin I2
metacyc.compound:5Z13E-69-ALPHA-EPOXY-11-ALPHA-HYDROXPROS metacycM:5Z13E-69-ALPHA-EPOXY-11-ALPHA-HYDROXPROS YCLHGWBUIYKBPM-ABXKVQRYSA-M	15-dehydro-prostaglandin I2 (5Z,13E)-6,9-alpha-epoxy-11-alpha-hydroxy-15-oxoprosta-5,13-dienoate
CHEBI:15556 chebi:15556 YCLHGWBUIYKBPM-ABXKVQRYSA-N	15-dehydro-prostaglandin I2 (5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate (5Z,13E)-6,9alpha-epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoic acid 15-Keto-pgi2 15-Ketoprostaglandin I2 15-deoxy-15-oxo-prostaglandin I2 15-keto PGI2
lipidmaps:LMFA03010205 lipidmapsM:LMFA03010205 YCLHGWBUIYKBPM-ABXKVQRYSA-N	15-dehydro-prostaglandin I2 (5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate 15-Keto-PGI2 15-Ketoprostaglandin I2 15-dehydro-PGI2 15-dehydro-prostaglandin I2 15-deoxy-15-oxo-prostaglandin I2 15-keto PGI2 6,9S-epoxy-11R-hydroxy-15-oxo-5Z,13E-prostadienoic acid FA 20:5 O3
chebi:10918 chebi:18591 chebi:248 seedM:M_cpd02937	secondary/obsolete/fantasy identifier