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cholesteryl (9Z-octadecenoate)

PropertiesImage
MNX_IDMNXM730830 Image of MNXM730830
referencechebi:46898
formulaC45H78O2
global charge0
mol weight651.117
InChIKeyRJECHNNFRHZQKU-RMUVNZEASA-N
InChIInChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
MNX internals
InChI (mnx)InChI=1/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 Image of MNXM730830
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:25][C:43](=[O:46])[O:47][C@H:38]1[CH2:30][CH2:32][C@@:44]2([CH3:5])[C:37](=[CH:26][CH2:27][C@H:39]3[C@@H:41]4[CH2:29][CH2:28][C@H:40]([C@H:36]([CH3:4])[CH2:24][CH2:22][CH2:23][CH:35]([CH3:2])[CH3:3])[C@@:45]4([CH3:6])[CH2:33][CH2:31][C@@H:42]32)[CH2:34]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:46898
chebi:46898
RJECHNNFRHZQKU-RMUVNZEASA-N 		cholesteryl (9Z-octadecenoate)
(3beta)-cholest-5-en-3-ol, (Z)-9-octadecenoate
(3beta)-cholest-5-en-3-yl (9Z)-octadec-9-enoate
18:1 Cholesteryl ester
CE(18:1(9Z))
CE(18:1)
CHOLESTERYL OLEATE
Cholest-5-en-3-beta-yl oleate
Cholesteryl cis-9-octadecenoate
Cholesteryl oleate
cholest-5-en-3-yl (9Z)-9-octadecenoate
cholesteryl cis-9-octadecenoate
cholesteryl oleate
oleoylcholesterol

SLM:000000508
slm:000000508
RJECHNNFRHZQKU-RMUVNZEASA-N 		(9Z-octadecenoyl)-cholesterol
CE(18:1(9Z))
Cholesteryl (9Z-octadecenoate)
Cholesteryl ester (18:1(9Z))

lipidmaps:LMST01020030
lipidmapsM:LMST01020030
RJECHNNFRHZQKU-RMUVNZEASA-N 		18:1 Cholesterol ester (d5)
cholest-5-en-3beta-yl (9Z-octadecenoate) (d5)

lipidmaps:LMST01020003
lipidmapsM:LMST01020003
RJECHNNFRHZQKU-RMUVNZEASA-N 		18:1 Cholesterol ester
CE 18:1
CE(18:1)
cholest-5-en-3beta-yl (9Z-octadecenoate)

lipidmaps:LMST01020168
lipidmapsM:LMST01020168
RJECHNNFRHZQKU-RMUVNZEASA-N 		18:1 Cholesterol(d7)
25,26,26,26,27,27,27-heptadeuteriocholest-5-en-3beta-ol (9Z-octadecenoate)
Cholesteryl oleate-d7
cholest-5-en-3beta-yl(d7) (9Z-octadecenoate)

lipidmaps:LMST01020173
lipidmapsM:LMST01020173
RJECHNNFRHZQKU-RMUVNZEASA-N 		18:1-d7 Cholesterol ester
cholest-5-en-3b-yl oleate-d7
cholest-5-en-3beta-yl (9Z-octadecenoate-16,16,17,17,18,18,18-d7)

bigg.metabolite:HC02023
biggM:HC02023
RJECHNNFRHZQKU-RMUVNZEASA-N 		Cholesterol-ester-ol

sabiork.compound:21894
sabiorkM:21894
kegg.compound:C14641
keggC:C14641
RJECHNNFRHZQKU-RMUVNZEASA-N 		Cholesteryl oleate
Cholest-5-en-3-beta-yl oleate
Cholesteryl cis-9-octadecenoate

seed.compound:cpd10340
seedM:cpd10340
RJECHNNFRHZQKU-RMUVNZEASA-N 		Cholesteryl oleate
Cholest-5-en-3-beta-yl oleate
Cholesteryl cis-9-octadecenoate
cholesteryl cis-9-octadecenoate
cholesteryl oleate
cholesteryl oleate-9,10-t2
oleic acid cholesteryl ester
oleoylcholesterol

metacyc.compound:CPD-15951
metacycM:CPD-15951
RJECHNNFRHZQKU-RMUVNZEASA-N 		cholesteryl oleate
cholesteryl cis-9-octadecenoate
cholesteryl oleate-9,10-t2
oleic acid cholesteryl ester
oleoylcholesterol

chebi:34634
chebi:39859
biggM:M_HC02023
keggC:M_C14641
seedM:M_cpd10340 		secondary/obsolete/fantasy identifier