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(3R,6S)-6-hydroxy-3,7-dimethyloctanoate

PropertiesImage
MNX_IDMNXM2890 Image of MNXM2890
referencechebi:64221
formulaC10H19O3
global charge-1
mol weight187.259
InChIKeyIQBGVZDRJBTLDN-BDAKNGLRSA-M
InChIInChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)/p-1/t8-,9+/m1/s1
SMILESCC(C)[C@@H](O)CC[C@@H](C)CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)/t8-,9+/m1/s1 Image of MNXM2890
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[C@H:9]([CH2:5][CH2:4][C@@H:8]([CH3:3])[CH2:6][C:10](=[O:12])[OH:13])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-15179
metacycM:CPD-15179
seed.compound:cpd32610
seedM:cpd32610
CHEBI:64221
chebi:64221
IQBGVZDRJBTLDN-BDAKNGLRSA-M 		(3R,6S)-6-hydroxy-3,7-dimethyloctanoate

CHEBI:64265
chebi:64265
IQBGVZDRJBTLDN-BDAKNGLRSA-N 		(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid

seed.compound:cpd18049
seedM:cpd18049
IQBGVZDRJBTLDN-UHFFFAOYSA-M 		6-Hydroxy-3,7-dimethyloctanoate

kegg.compound:C18067
keggC:C18067
IQBGVZDRJBTLDN-UHFFFAOYSA-N 		6-Hydroxy-3,7-dimethyloctanoate
6-Hydroxy-3,7-dimethyloctanoic acid

seed.compound:cpd22186
seedM:cpd22186
IQBGVZDRJBTLDN-UHFFFAOYSA-M 		6-Hydroxy-37-dimethyloctanoate

CHEBI:64223
chebi:64223
IQBGVZDRJBTLDN-UHFFFAOYSA-M 		6-hydroxy-3,7-dimethyloctanoate

CHEBI:50451
chebi:50451
IQBGVZDRJBTLDN-UHFFFAOYSA-N 		6-hydroxy-3,7-dimethyloctanoic acid

lipidmaps:LMFA01050370
lipidmapsM:LMFA01050370
IQBGVZDRJBTLDN-UHFFFAOYSA-N 		6-hydroxy-3,7-dimethyloctanoic acid
6-hydroxy-3,7-dimethyloctanoic acid
FA 10:0
O

metacyc.compound:6-Hydroxy-37-dimethyloctanoate
metacycM:6-Hydroxy-37-dimethyloctanoate
IQBGVZDRJBTLDN-UHFFFAOYSA-M 		a 6-hydroxy-3,7-dimethyloctanoate

keggC:M_C18067
seedM:M_cpd18049
seedM:M_cpd22186
seedM:M_cpd32610 		secondary/obsolete/fantasy identifier