MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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oscr#29

	Properties	Image
MNX_ID	MNXM159078
reference	chebi:79151
formula	C₂₃H₄₂O₆
global charge	0
mol weight	414.583
InChIKey	HJPCXYKWUOGDSW-KRSIWRBNSA-N
InChI	InChI=1S/C23H42O6/c1-19-20(24)18-21(25)23(29-19)28-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(26)27/h14,16,19-21,23-25H,2-13,15,17-18H2,1H3,(H,26,27)/b16-14+/t19-,20+,21+,23+/m0/s1
SMILES	C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C23H42O6/c1-19-20(24)18-21(25)23(29-19)28-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(26)27/h14,16,19-21,23-25H,2-13,15,17-18H2,1H3,(H,26,27)/b16-14+/t19-,20+,21+,23+/m0/s1
SMILES (mnx)	[CH3:1][C@H:19]1[C@H:20]([OH:24])[CH2:18][C@@H:21]([OH:25])[C@H:23]([O:28][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]/[C:22](=[O:26])[OH:27])[O:29]1

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
Identifier	Description
CHEBI:79151 chebi:79151 HJPCXYKWUOGDSW-KRSIWRBNSA-N	oscr#29 (2E)-17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptadec-2-enoic acid 17-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-heptadecenoic acid
CHEBI:140022 chebi:140022 HJPCXYKWUOGDSW-KRSIWRBNSA-M	oscr#29(1-) (2E)-17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptadec-2-enoate
lipidmaps:LMFA13040068 lipidmapsM:LMFA13040068 HJPCXYKWUOGDSW-KRSIWRBNSA-N	oscr#29 17-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-heptadecenoic acid 17-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-heptadecenoic acid