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

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(14R,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate

	Properties	Image
MNX_ID	MNXM169545
reference	chebi:136530
formula	C₂₂H₃₁O₄
global charge	-1
mol weight	359.486
InChIKey	OIAXNIJCPGIEPH-LSBIKEGXSA-M
InChI	InChI=1S/C22H32O4/c23-20-16-12-8-7-10-14-18-21(24)17-13-9-5-3-1-2-4-6-11-15-19-22(25)26/h1-2,5-6,8-14,17,21,23-24H,3-4,7,15-16,18-20H2,(H,25,26)/p-1/b2-1-,9-5-,11-6-,12-8-,14-10-,17-13+/t21-/m0/s1
SMILES	O=C([O-])CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\C/C=C\CCO

MNX internals

InChI (mnx)	InChI=1/C22H32O4/c23-20-16-12-8-7-10-14-18-21(24)17-13-9-5-3-1-2-4-6-11-15-19-22(25)26/h1-2,5-6,8-14,17,21,23-24H,3-4,7,15-16,18-20H2,(H,25,26)/b2-1-,9-5-,11-6-,12-8-,14-10-,17-13+/t21-/m0/s1
SMILES (mnx)	[CH:1](=[CH:2]\[CH2:4]/[CH:6]=[CH:11]\[CH2:15][CH2:19][C:22](=[O:25])[OH:26])\[CH2:3]/[CH:5]=[CH:9]\[CH:13]=[CH:17]\[C@@H:21]([CH2:18]/[CH:14]=[CH:10]\[CH2:7]/[CH:8]=[CH:12]\[CH2:16][CH2:20][OH:23])[OH:24]

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:136530 chebi:136530 OIAXNIJCPGIEPH-LSBIKEGXSA-M	(14R,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate (14R,22)-DiHDoHE(1-) (14R,22)-diHDHA(1-) (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosa-4,7,10,12,16,19-hexaenoate (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoate maresin-L2(1-)
reactome:R-ALL-9027045 reactomeM:R-ALL-9027045 reactome:R-ALL-9031799 reactomeM:R-ALL-9031799 CHEBI:137350 chebi:137350 OIAXNIJCPGIEPH-LSBIKEGXSA-N	(4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid (14R,22)-DiHDoHE (14R,22)-diHDHA (14R,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid 14(R),22-diHDHA 14(R),22-dihydroxydocosahexaenoic acid MaR-L2 maresin-L2
metacyc.compound:CPD-24694 metacycM:CPD-24694 OIAXNIJCPGIEPH-LSBIKEGXSA-M	maresin-L2 (14R,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosa-4,7,10,12,16,19-hexaenoate (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoate 14(R),22-diHDHA 14(R),22-diHDoHE 14(R),22-dihydroxydocosahexaenoate MaR-L2
chebi:140255	secondary/obsolete/fantasy identifier