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(13Z)-docosenoate

Properties Image (std) Image (mnx) Occurences in reactions MNX_ID MNXM11520 #reac in my sandbox 0 in MNXref (generic) 13 in models (compartimentalized) 10 reference chebi:32393 formula (std) C22H41O2 global charge (std) -1 mol weight (std) 337.568 InChIKey (std) DPUOLQHDNGRHBS-KTKRTIGZSA-M InChI (std) InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/p-1/b10-9- InChI (mnx) InChI=1/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9- SMILES (std) CCCCCCCC/C=CU+005CCCCCCCCCCCCC(=O)[O-] SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]U+005C[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[OH:24]

Parent-child relations graph

Similar chemical compounds in external resources

Identifier	Description
CHEBI:32393 chebi:32393 DPUOLQHDNGRHBS-KTKRTIGZSA-M	(13Z)-docosenoate (13Z)-docos-13-enoate (22:1n9) (Z)-13-docosenoate cis-Delta(13)-docosenoate docos-13c-enoate erucate
SLM:000001118 slm:000001118 DPUOLQHDNGRHBS-KTKRTIGZSA-M	(13Z)-docosenoate 22:1(13Z) Erucate
vmhM:CE2512 vmhM:CE2512 vmhmetabolite:CE2512 vmhmetabolite:CE2512 DPUOLQHDNGRHBS-KTKRTIGZSA-N	13-docosenoate (13Z)-docos-13-enoic acid
bigg.metabolite:doco13ac biggM:doco13ac DPUOLQHDNGRHBS-KTKRTIGZSA-M	13Z)-13-docosenoic acid
hmdb:HMDB0002068 DPUOLQHDNGRHBS-KTKRTIGZSA-N	Erucic acid (13Z)-13-Docosenoate (13Z)-13-Docosenoic acid (13Z)-Docosenoate (13Z)-Docosenoic acid (13Z)-docos-13-enoic acid (Z)-13-Docosenoate (Z)-13-Docosenoic acid (Z)-Docos-13-enoate (Z)-Docos-13-enoic acid (Z)-Erucic acid 13(Z)-Docosenoic acid 13-Docosenoate 13-Docosenoic acid 13-Docosenoic acid (acd/name 4.0) 13-cis-Docosenoate 13-cis-Docosenoic acid 22:1Omega9 C22:1N-9 Delta.13-cis-docosenoate Delta.13-cis-docosenoic acid Docos-13C-enoate Docos-13C-enoic acid Erucasaeure Erucate Erucic acid, (Z)-isomer FA(22:1(13Z)) FA(22:1n9) Prifrac 2990 cis-13-Docosenoate cis-13-Docosenoic acid cis-13-Erucic acid cis-Delta(13)-Docosenoic acid cis-Eruate cis-Erucic acid cis-Eruic acid cis-delta(13)-Docosenoate cis-delta(13)-docosenoate cis-delta(13)-docosenoic acid delta 13-cis-Docosenoate delta 13-cis-Docosenoic acid delta13-cis-Docosenoic acid delta13-cis-docosenoic acid erucic acid
seed.compound:cpd05231 seedM:cpd05231 DPUOLQHDNGRHBS-KTKRTIGZSA-M	Erucic acid (13Z)-Docosenoic acid (13Z)-docos-13-enoate (13Z)-docosenoate (Z)-13-docosenoate cis-13-Docosenoic acid cis-delta13-docosenoate docos-13c-enoate erucate erucic acid
kegg.compound:C08316 keggC:C08316 DPUOLQHDNGRHBS-KTKRTIGZSA-N	Erucic acid (13Z)-Docosenoic acid cis-13-Docosenoic acid
lipidmaps:LMFA01030089 lipidmapsM:LMFA01030089 DPUOLQHDNGRHBS-KTKRTIGZSA-N	cis-erucic acid 13Z-docosenoic acid C22:1n-9 FA 22:1 cis-13-docosenoic acid
vmhM:doco13ac vmhM:doco13ac vmhmetabolite:doco13ac vmhmetabolite:doco13ac DPUOLQHDNGRHBS-KTKRTIGZSA-M	docosenoic acid (C22:1) (13Z)-docos-13-enoic acid
metacyc.compound:CPD-14292 metacycM:CPD-14292 DPUOLQHDNGRHBS-KTKRTIGZSA-M	erucate (13Z)-docos-13-enoate (13Z)-docosenoate cis-Delta13-docosenoate erucic acid
CHEBI:28792 chebi:28792 DPUOLQHDNGRHBS-KTKRTIGZSA-N	erucic acid (13Z)-13-docosenoic acid (13Z)-Docosenoic acid (13Z)-docos-13-enoic acid (Z)-13-docosenoic acid (Z)-docos-13-enoic acid 13-cis-docosenoic acid 22:1omega9 C22:1n-9 Erucasaeure Erucic acid cis-13-Docosenoic acid cis-Delta(13)-docosenoic acid cis-eruic acid docos-13c-enoic acid
hmdb:HMDB02068 chebi:23275 chebi:4836 biggM:M_doco13ac keggC:M_C08316 seedM:M_cpd05231 vmhM:M_CE2512 vmhM:M_doco13ac	secondary/obsolete/fantasy identifier