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

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(7Z,10Z,13Z,16Z,19Z)-docosapentaenoate

MNXM6529 is deprecated and here replaced by MNXM726718
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM726718
reference	chebi:77224
formula	C₂₂H₃₃O₂
global charge	-1
mol weight	329.504
InChIKey	YUFFSWGQGVEMMI-JLNKQSITSA-M
InChI	InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES (mnx)	[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[OH:24]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	16

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-444178 reactomeM:R-ALL-444178 reactome:R-ALL-9608444 reactomeM:R-ALL-9608444 CHEBI:77224 chebi:77224 YUFFSWGQGVEMMI-JLNKQSITSA-M	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoate (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate C22:5(omega-3)(1-) all-cis-docosa-7,10,13,16,19-pentaenoate clupanodonate
kegg.compound:C16513 keggC:C16513 YUFFSWGQGVEMMI-JLNKQSITSA-N	(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoic acid (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid 7Z,10Z,13Z,16Z,19Z-Docosapentaenoic acid Docosapentaenoic acid
metacyc.compound:CPD-13792 metacycM:CPD-13792 YUFFSWGQGVEMMI-JLNKQSITSA-M	(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentenoate (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate DPA all-cis-7,10,13,16,19-docosapentaenoate clupanodonic acid n-3 docosapentaenoate n-3 docosapentaenoic acid
SLM:000000929 slm:000000929 YUFFSWGQGVEMMI-JLNKQSITSA-M	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoate 22:5(7Z,10Z,13Z,16Z,19Z)
CHEBI:53488 chebi:53488 YUFFSWGQGVEMMI-JLNKQSITSA-N	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid (all Z)-7,10,13,16,19-Docosapentaenoic acid DPA DPAn-3 Docosa-7c,10c,13c,16c,19c-pentaensaeure Docosapentaenoic acid all-cis-7,10,13,16,19-docosapentaenoic acid cis-7,10,13,16,19-Docosapentaenoic acid clupanodonic acid docosa-7Z,10Z,13Z,16Z,19Z-pentaenoic acid docosapentaenoic acid
bigg.metabolite:clpnd biggM:clpnd YUFFSWGQGVEMMI-JLNKQSITSA-M	Clupanodonic acid
lipidmaps:LMFA04000044 lipidmapsM:LMFA04000044 YUFFSWGQGVEMMI-JLNKQSITSA-N	DPA 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid C22:5n-3,6,9,12,15 Clupanodonic acid FA 22:5 Osbond's acid
hmdb:HMDB0006528 YUFFSWGQGVEMMI-JLNKQSITSA-N	Docosapentaenoic acid (22n-3) (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoic acid (7Z,10Z,13Z,16Z,19Z)-Docosa 7,10,13,16,19-pentaenoate (7Z,10Z,13Z,16Z,19Z)-Docosa 7,10,13,16,19-pentaenoic acid (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoate (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid (all Z)-7,10,13,16,19-Docosapentaenoate (all Z)-7,10,13,16,19-Docosapentaenoic acid (all-Z)-7, 10, 13, 16, 19-Docosapentaenoic acid (all-Z)-7,10,13,16,19-Docosapentaenoic acid 7,10,13,16,19-Docosapentaenoate 7,10,13,16,19-Docosapentaenoic acid 7,10,13,16,19-Docosapentaenoic acid, (all-Z)-isomer 7Z,10Z,13Z,16Z,19Z-Docosapentaenoate 7Z,10Z,13Z,16Z,19Z-Docosapentaenoic acid Clupanodonate Clupanodonic acid DPA DPAn-3 Docosa-7Z,10Z,13Z,16Z,19Z-pentaenoate Docosa-7Z,10Z,13Z,16Z,19Z-pentaenoic acid Docosapentaenoate Docosapentaenoate (22N-3) Docosapentaenoic acid Docosapentaenoic acid (C22:5 N3) Docosapentaenoic acid, (all Z)-isomer FA(22:5(7Z,10Z,13Z,16Z,19Z)) FA(22:5n3) Osbond acid all-cis-7,10,13,16,19-Docosapentaenoate all-cis-7,10,13,16,19-Docosapentaenoic acid cis-7,10,13,16,19-Docosapentaenoate cis-7,10,13,16,19-Docosapentaenoic acid clupanodonic acid delta7,10,13,16,19-Docosapentaenoic acid omega3-Docosapentaenoic acid
seed.compound:cpd16301 seedM:cpd16301 YUFFSWGQGVEMMI-JLNKQSITSA-M	Docosapentaenoic acid (7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic acid (7Z,10Z,13Z,16Z,19Z)-Docosapentaenoic acid (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentenoate (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate all-cis-7,10,13,16,19-docosapentaenoate clupanodonic acid docosapentaenoate docosapentaenoic acid n-3 docosapentaenoate n-3 docosapentaenoic acid
hmdb:HMDB06528 chebi:138672 biggM:M_clpnd keggC:M_C16513 seedM:M_cpd16301	secondary/obsolete/fantasy identifier