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isopimarate

MNXM6302 is deprecated and here replaced by MNXM738972
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738972

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₀H₂₉O₂

charge

-1

mass

301.2173

reference

chebi:58924

InChIKey

MXYATHGRPJZBNA-KRFUXDQASA-M

InChI

InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/p-1/t15-,16+,18-,19+,20+/m0/s1

SMILES

C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58924 chebi:58924	isopimarate (13S)-pimara-7,15-dien-18-oate (13alpha)-pimara-7,15-dien-18-oate isopimarate anion
sabiork.compound:11209 sabiorkM:11209 kegg.compound:C09118 keggC:C09118	Isopimaric acid
CHEBI:6039 chebi:6039 lipidmaps:LMPR0104080010 lipidmapsM:LMPR0104080010	isopimaric acid (13S)-pimara-7,15-dien-18-oic acid (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid 4-Epi-isopimaric acid Isopimaric acid
keggC:M_C09118	secondary/obsolete/fantasy identifier