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behenate

Properties Image MNX_ID MNXM7102 reference chebi:23858 formula C22H43O2 global charge -1 mol weight 339.584 InChIKey UKMSUNONTOPOIO-UHFFFAOYSA-M InChI InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)/p-1 SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22]([OH:23])=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 24 in models (compartimentalized) 20

Similar chemical compounds in external resources

Identifier	Description
CHEBI:23858 chebi:23858 UKMSUNONTOPOIO-UHFFFAOYSA-M	behenate CH3-[CH2]20-COO(-) Docosanoate docosanoate
bigg.metabolite:docosac biggM:docosac UKMSUNONTOPOIO-UHFFFAOYSA-M	Behenate, Docosanoate
lipidmaps:LMFA01010050 lipidmapsM:LMFA01010050 UKMSUNONTOPOIO-UHFFFAOYSA-N	Behenic acid(d3) Docosanoic acid(d3)
hmdb:HMDB0000944 UKMSUNONTOPOIO-UHFFFAOYSA-N	Behenic acid 1-Docosanoate 1-Docosanoic acid Behenate Behensaeure CH3-[CH2]20-COOH Docosanate Docosanic acid Docosanoate Docosanoic acid Docosansaeure Docosoate Docosoic acid Dokosansaeure FA(22:0) N-Docosanoate N-Docosanoic acid behenic acid docosanoic acid
lipidmaps:LMFA01010022 lipidmapsM:LMFA01010022 UKMSUNONTOPOIO-UHFFFAOYSA-N	Behenic acid C22:0 FA 22:0 docosanoic acid
sabiork.compound:10380 sabiorkM:10380 UKMSUNONTOPOIO-UHFFFAOYSA-M	Behenic acid Docosanoate Docosanoic acid
seed.compound:cpd05196 seedM:cpd05196 UKMSUNONTOPOIO-UHFFFAOYSA-M	Docosanoate Behenic acid Docosanoic acid behenate behenic acid docosanoate docosanoic acid
kegg.compound:C08281 keggC:C08281 UKMSUNONTOPOIO-UHFFFAOYSA-N	Docosanoic acid Behenic acid Docosanoate
vmhM:dcsa vmhM:dcsa vmhmetabolite:dcsa vmhmetabolite:dcsa UKMSUNONTOPOIO-UHFFFAOYSA-M	behenate 1-Docosanoate 1-Docosanoic acid Behenate Behenic acid, aluminum salt Behenic acid, barium salt Behenic acid, cadmium salt Behenic acid, ferrium (+3) salt Behenic acid, lithium salt Behenic acid, potassium salt Behenic acid, silver (+1) salt Behenic acid, sodium salt Behenic acid, zinc salt Behensaeure CH3-[CH2]20-COOH Docosanate Docosanic acid Docosanoate Docosanoic acid Docosansaeure Docosoate Docosoic acid Dokosansaeure EXL 5 Edenor C 22-85R Glycon b 70 Heneicosansaeure Hydrofol 2022-55 Hydrofol acid 560 N-Docosanoate N-Docosanoic acid Prifac 2987 b 95
hmdb:HMDB0304269 UKMSUNONTOPOIO-UHFFFAOYSA-M	behenate Behenic acid CH3-[CH2]20-COO(-) Docosanoate Docosanoic acid docosanoate
metacyc.compound:DOCOSANOATE metacycM:DOCOSANOATE UKMSUNONTOPOIO-UHFFFAOYSA-M	behenate behenic acid docosanoate docosanoic acid
SLM:000000827 slm:000000827 UKMSUNONTOPOIO-UHFFFAOYSA-M	docosanoate Behenate
CHEBI:28941 chebi:28941 UKMSUNONTOPOIO-UHFFFAOYSA-N	docosanoic acid 1-docosanoic acid Behenic acid Behensaeure CH3-[CH2]20-COOH Docosanoate Docosanoic acid Docosansaeure Dokosansaeure Heneicosansaeure docosanic acid docosoic acid n-docosanoic acid
hmdb:HMDB00944 chebi:25463 chebi:3003 vmhM:C08281 vmhM:C08281 vmhM:docosac vmhM:docosac biggM:M_docosac keggC:M_C08281 seedM:M_cpd05196 vmhM:M_dcsa	secondary/obsolete/fantasy identifier