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cholesteryl (9Z)-hexadecenoate

PropertiesImage
MNX_IDMNXM164676 Image of MNXM164676
referencechebi:84323
formulaC43H74O2
global charge0
mol weight623.063
InChIKeyHODJWNWCVNUPAQ-XDOSKZMUSA-N
InChIInChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
SMILESCCCCCC/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/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1 Image of MNXM164676
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][C:41](=[O:44])[O:45][C@H:36]1[CH2:28][CH2:30][C@@:42]2([CH3:5])[C:35](=[CH:24][CH2:25][C@H:37]3[C@@H:39]4[CH2:27][CH2:26][C@H:38]([C@H:34]([CH3:4])[CH2:22][CH2:20][CH2:21][CH:33]([CH3:2])[CH3:3])[C@@:43]4([CH3:6])[CH2:31][CH2:29][C@@H:40]32)[CH2:32]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84323
chebi:84323
HODJWNWCVNUPAQ-XDOSKZMUSA-N 		cholesteryl (9Z)-hexadecenoate
(3beta)-cholest-5-en-3-yl (9Z)-hexadec-9-enoate
(Z)-cholesterol 9-hexadecenoate
(Z)-cholesterol 9-hexadecenoic acid
1-palmitoleoyl-cholesterol
16:1(9Z) cholesterol ester
CE(16:1(9Z))
CE(16:1/0:0)
CE(16:1n7/0:0)
CE(16:1w7/0:0)
cholesterol cis-9-hexadecenoate
cholesteryl palmitoleate

SLM:000500265
slm:000500265
HODJWNWCVNUPAQ-XDOSKZMUSA-N 		(9Z-hexadecenoyl)-cholesterol
CE(16:1(9Z))
Cholesteryl (9Z-hexadecenoate)
Cholesteryl ester (16:1(9Z))

lipidmaps:LMST01020006
lipidmapsM:LMST01020006
HODJWNWCVNUPAQ-XDOSKZMUSA-N 		16:1 Cholesterol ester
CE 16:1
CE(16:1)
Cholesteryl palmitoleate
cholest-5-en-3beta-yl (9Z-hexadecenoate)

lipidmaps:LMST01020170
lipidmapsM:LMST01020170
HODJWNWCVNUPAQ-XDOSKZMUSA-N 		16:1 Cholesterol(d7)
25,26,26,26,27,27,27-heptadeuteriocholest-5-en-3beta-ol (9Z-hexadecenoate)
cholest-5-en-3beta-yl(d7) (9Z-hexadecenoate)
cholesteryl-d7 palmitoleate
hmdb:HMDB0000658
HODJWNWCVNUPAQ-XDOSKZMUSA-N 		CE(16:1(9Z))
(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (9Z)-hexadec-9-enoate
(Z)-Cholesterol 9-hexadecenoate
(Z)-Cholesterol 9-hexadecenoic acid
1-Palmitoleoyl-cholesterol
16:1(9Z) Cholesterol ester
CE(16:1/0:0)
CE(16:1W7/0:0)
CE(16:1n7/0:0)
Cholest-5-en-3b-yl (9Z-hexadecenoate)
Cholest-5-en-3b-yl (9Z-hexadecenoic acid)
Cholest-5-en-3beta-yl (9Z-hexadecenoate)
Cholest-5-en-3beta-yl (9Z-hexadecenoic acid)
Cholesterol cis-9-hexadecenoate
Cholesterol cis-9-hexadecenoic acid
Cholesterol palmitoleate
Cholesteryl (9Z)-hexadecenoate
Cholesteryl (9Z)-hexadecenoic acid
Cholesteryl 9-hexadecenoate
Cholesteryl 9-palmitelaidate
Cholesteryl 9-palmitoleate
Cholesteryl cis-9-hexadecenoate
Cholesteryl cis-hexadecenoate
Cholesteryl palmitoleate
Cholesteryl palmitoleic acid

vmhM:HC02021
vmhmetabolite:HC02021
HODJWNWCVNUPAQ-XDOSKZMUSA-N 		Cholest-5-En-3Beta-Yl (9Z-Hexadecenoate)

bigg.metabolite:HC02021
biggM:HC02021
HODJWNWCVNUPAQ-BYJSCLGISA-N 		Cholesterol-ester-palmn

hmdb:HMDB0005197
hmdb:HMDB0062460
hmdb:HMDB00658
hmdb:HMDB05197
hmdb:HMDB62460
biggM:M_HC02021
vmhM:M_HC02021 		secondary/obsolete/fantasy identifier