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Ceriporic acid B

PropertiesImage
MNX_IDMNXM46140 Image of MNXM46140
referencechebi:184466
formulaC21H38O4
global charge0
mol weight354.531
InChIKeyGFBJXFMJWQHQJC-LJQANCHMSA-N
InChIInChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
SMILESC=C(C(=O)O)[C@@H](CCCCCCCCCCCCCCCC)C(=O)O
MNX internals
InChI (mnx)InChI=1/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1 Image of MNXM46140
SMILES (mnx)[CH3:1][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][C@H:19]([C:18](=[CH2:2])[C:20](=[O:22])[OH:23])[C:21](=[O:24])[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184466
chebi:184466
GFBJXFMJWQHQJC-LJQANCHMSA-N
Ceriporic acid B
(2R)-2-hexadecyl-3-methylidenebutanedioic acid

lipidmaps:LMFA01170125
lipidmapsM:LMFA01170125
GFBJXFMJWQHQJC-LJQANCHMSA-N
Ceriporic acid B
(R)-3-hexadecylitaconic acid
1-nonadecene-2,3R-dicarboxylic acid
FA 21:2
O2