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docosanoate

PropertiesImage
MNX_IDMNXM7102 Image of MNXM7102
referencechebi:23858
formulaC22H43O2
global charge-1
mol weight339.584
InChIKeyUKMSUNONTOPOIO-UHFFFAOYSA-M
InChIInChI=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
SMILESCCCCCCCCCCCCCCCCCCCCCC(=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) Image of MNXM7102
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](=[O:23])[OH: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
IdentifierDescription

CHEBI:23858
chebi:23858
UKMSUNONTOPOIO-UHFFFAOYSA-M
docosanoate
CH3-[CH2]20-COO(-)
Docosanoate
behenate

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

vmhM:docosac
vmhmetabolite:docosac
UKMSUNONTOPOIO-UHFFFAOYSA-M
Behenic acid
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:C08281
vmhmetabolite:C08281
UKMSUNONTOPOIO-UHFFFAOYSA-N
behenate
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
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
biggM:M_docosac
keggC:M_C08281
seedM:M_cpd05196
vmhM:M_C08281
vmhM:M_docosac
secondary/obsolete/fantasy identifier