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monacolin L carboxylate

PropertiesImage
MNX_IDMNXM145623 Image of MNXM145623
referencechebi:79044
formulaC19H29O4
global charge-1
mol weight321.437
InChIKeyRPDSFBJYUHLDNI-MHMDBQTNSA-M
InChIInChI=1S/C19H30O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,9,12-13,15-18,20-21H,3,6-8,10-11H2,1-2H3,(H,22,23)/p-1/t12-,13+,15-,16-,17+,18+/m1/s1
SMILESC[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]2CC1
MNX internals
InChI (mnx)InChI=1/C19H30O4/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-15(20)10-16(21)11-19(22)23/h4-5,9,12-13,15-18,20-21H,3,6-8,10-11H2,1-2H3,(H,22,23)/t12-,13+,15-,16-,17+,18+/m1/s1 Image of MNXM145623
SMILES (mnx)[CH3:1][C@@H:12]1[CH2:3][CH2:7][C@H:18]2[C:14](=[CH:9]1)[CH:5]=[CH:4][C@H:13]([CH3:2])[C@@H:17]2[CH2:8][CH2:6][C@H:15]([CH2:10][C@H:16]([CH2:11][C:19](=[O:22])[OH:23])[OH:21])[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79044
chebi:79044
RPDSFBJYUHLDNI-MHMDBQTNSA-M 		monacolin L carboxylate
(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
monacolin L acid(1-)

kegg.compound:C20853
keggC:C20853
RPDSFBJYUHLDNI-MHMDBQTNSA-N 		Monacolin L acid
(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

metacyc.compound:CPD-16905
metacycM:CPD-16905
seed.compound:cpd32338
seedM:cpd32338
RPDSFBJYUHLDNI-MHMDBQTNSA-M 		monacolin L acid

CHEBI:82987
chebi:82987
RPDSFBJYUHLDNI-MHMDBQTNSA-N 		monacolin L acid
(3R,5R)-7-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

keggC:M_C20853
seedM:M_cpd32338 		secondary/obsolete/fantasy identifier