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henicosanoic acid

MNXM56059 is deprecated and here replaced by MNXM1106854
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106854 Image of MNXM1106854
referencechebi:39248
formulaC21H42O2
global charge0
mol weight326.565
InChIKeyCKDDRHZIAZRDBW-UHFFFAOYSA-N
InChIInChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23) Image of MNXM1106854
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][C:21](=[O:22])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:39248
chebi:39248
CKDDRHZIAZRDBW-UHFFFAOYSA-N
henicosanoic acid
21:0
C21:0
Heneicosansaeure
heneicosanoic acid
heneicosylic acid
n-heneicosanoic acid
n-heneicosylic acid
n-henicosanoic acid

bigg.metabolite:M02053
biggM:M02053
CKDDRHZIAZRDBW-UHFFFAOYSA-N
Heneicosanoic Acid
hmdb:HMDB0002345
CKDDRHZIAZRDBW-UHFFFAOYSA-N
Heneicosanoic acid
21:0
C21:0
FA(21:0)
Heneicosanate
Heneicosanic acid
Heneicosanoate
Heneicosansaeure
Heneicosylate
Heneicosylic acid
Henicosanoate
Henicosanoic acid
N-Heneicosanoate
N-Heneicosanoic acid
N-Heneicosylate
N-Heneicosylic acid
N-Henicosanoate
N-Henicosanoic acid
heneicosanoic acid
henicosanoic acid

vmhM:M02053
vmhmetabolite:M02053
CKDDRHZIAZRDBW-UHFFFAOYSA-M
Heneicosanoic acid
henicosanoic acid

lipidmaps:LMFA01010021
lipidmapsM:LMFA01010021
CKDDRHZIAZRDBW-UHFFFAOYSA-N
Heneicosylic acid
C21:0
FA 21:0
Heneicosanoic acid
Henicosanoic acid

SLM:000001207
slm:000001207
CKDDRHZIAZRDBW-UHFFFAOYSA-M
heneicosanoate
Henicosanoate

CHEBI:78797
chebi:78797
CKDDRHZIAZRDBW-UHFFFAOYSA-M
heneicosanoate
henicosanoate

hmdb:HMDB02345
biggM:M_M02053
vmhM:M_M02053
secondary/obsolete/fantasy identifier