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18:3 Campesterol ester

Properties

Image

Occurences in reactions

MNX_ID

MNXM120135

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

formula

C₄₆H₇₆O₂

charge

mass

660.58453

reference

lipidmapsM:LMST01020072

InChIKey

SOZHSICUHFFXDQ-JZMCTZLJSA-N

InChI

InChI=1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h9-10,12-13,15-16,26,35-37,39-43H,8,11,14,17-25,27-34H2,1-7H3/b10-9-,13-12-,16-15-/t36-,37-,39+,40+,41-,42+,43+,45+,46-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMST01020072 lipidmapsM:LMST01020072	18:3 Campesterol ester Campest-5-en-3beta-yl (9Z,12Z,15Z-octadecatrienoate)
hmdb:HMDB0036286	Campesteryl alpha-linolenate 14-(5,6-Dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid 14-(5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Apigenin 7-(2''-acetylglucoside) Campesteryl a-linolenate Campesteryl a-linolenic acid Campesteryl alpha-linolenic acid
CHEBI:172787 chebi:172787	Campesteryl alpha-linolenate [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
hmdb:HMDB36286	secondary/obsolete/fantasy identifier