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cholesteryl (5Z,8Z,11Z,14Z)-eicosatetraenoate

MNXM163776 is deprecated and here replaced by MNXM1104132
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104132 Image of MNXM1104132
referencechebi:82751
formulaC47H76O2
global charge0
mol weight673.123
InChIKeyIMXSFYNMSOULQS-BEDFLICRSA-N
InChIInChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1 Image of MNXM1104132
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:27][C:45](=[O:48])[O:49][C@H:40]1[CH2:32][CH2:34][C@@:46]2([CH3:5])[C:39](=[CH:28][CH2:29][C@H:41]3[C@@H:43]4[CH2:31][CH2:30][C@H:42]([C@H:38]([CH3:4])[CH2:26][CH2:24][CH2:25][CH:37]([CH3:2])[CH3:3])[C@@:47]4([CH3:6])[CH2:35][CH2:33][C@@H:44]32)[CH2:36]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:82751
chebi:82751
IMXSFYNMSOULQS-BEDFLICRSA-N 		cholesteryl (5Z,8Z,11Z,14Z)-eicosatetraenoate
(3beta)-cholest-5-en-3-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
20:4 Cholesteryl ester
CE(20:4(5Z,8Z,11Z,14Z))
CE(20:4)
cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z-eicosatetraenoate)
cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z-icosatetraenoate)
cholesterol arachidonate
cholesteryl arachidonate

SLM:000500280
slm:000500280
IMXSFYNMSOULQS-BEDFLICRSA-N 		(5Z,8Z,11Z,14Z-eicosatetraenoyl)-cholesterol
CE(20:4(5Z,8Z,11Z,14Z))
Cholesteryl (5Z,8Z,11Z,14Z-eicosatetraenoate)
Cholesteryl ester (20:4(5Z,8Z,11Z,14Z))

lipidmaps:LMST01020014
lipidmapsM:LMST01020014
IMXSFYNMSOULQS-BEDFLICRSA-N 		20:4 Cholesterol ester
CE 20:4
CE(20:4)
Cholesterol arachidonate
cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z-eicosatetraenoate)

metacyc.compound:CPD-21830
metacycM:CPD-21830
IMXSFYNMSOULQS-BEDFLICRSA-N 		CE(20:4)
CE (20:4)
cholesterol arachidonate
cholesteryl arachidonate

vmhM:HC02027
vmhmetabolite:HC02027
IMXSFYNMSOULQS-BEDFLICRSA-N 		Cholest-5-En-3Beta-Yl (5Z,8Z,11Z,14Z-Eicosatetraenoate)
(2R,5S,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 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

bigg.metabolite:HC02027
biggM:HC02027
IMXSFYNMSOULQS-PPBRESQMSA-N 		Cholesterol-ester-arach

bigg.metabolite:xolest204_hs
biggM:xolest204_hs
vmhM:xolest204_hs
vmhmetabolite:xolest204_hs
IMXSFYNMSOULQS-BEDFLICRSA-N 		Cholesteryl Arachidonate, Cholesterol-Ester (20:4, Delta 5,8,11,14)
hmdb:HMDB0250182
IMXSFYNMSOULQS-BEDFLICRSA-N 		Cholesteryl arachidonate
2,15-Dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl icosa-5,8,11,14-tetraenoic acid
2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl icosa-5,8,11,14-tetraenoate

biggM:M_HC02027
biggM:M_xolest204_hs
vmhM:M_HC02027
vmhM:M_xolest204_hs 		secondary/obsolete/fantasy identifier