| Number |
qtl-m1753 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
387.1 |
| Product ions(Q3) |
331.1 |
| Main fragments |
|
| Compound |
Cholesterol |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16113 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
2060565;; |
| BioModels Database Links |
BIOMD0000000434;; |
| CAS Registry Numbers |
57-88-5;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
cholesterol;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group.;; |
| DrugBank Database Links |
DB04540;; |
| Formulae |
C27H46O;; |
| Gmelin Registry Numbers |
550297;; |
| INN |
|
| IUPAC Names |
cholest-5-en-3beta-ol;; |
| InChI |
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1;; |
| InChIKey |
HVYWMOMLDIMFJA-DPAQBDIFSA-N;; |
| IntAct Database Links |
EBI-4421837;;EBI-2368970;;EBI-2368907;; |
| IntEnz Database Links |
EC 3.2.1.104;;EC 3.1.1.13;;EC 2.3.1.26;;EC 1.3.1.72;;EC 1.3.1.21;;EC 1.14.99.38;;EC 1.14.19.21;;EC 1.14.15.6;;EC 1.14.14.25;;EC 1.14.14.23;;EC 1.1.3.6;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00040 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
386.65350;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008157537;;WO2008153793;;WO2008153792;;WO2008149382;;WO2008143846;;WO2008137809;;WO2008137139;;WO2008134480;;WO2008134354;;WO2008132162;;WO2008130616;;WO2008128647;;WO2008127381;;WO2008124749;;WO2008119657;;WO2008116742;;WO2007137301;;WO2007137098;;WO2 |
| PubChem Database Links |
8145005;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
985740;;9266395;;9027647;;9004852;;8838010;;8651245;;8591852;;8462368;;7709184;;4696527;;3885567;;3012338;;25977713;;25658343;;25522988;;25451949;;25308664;;24287311;;22944170;;19212411;;1772471;;16866910;;16762001;;16701946;;16636218;;16635110;;16341241; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-5358460;;R-HSA-5358340;;R-HSA-5250531;;R-HSA-435244;;R-HSA-432129;;R-HSA-432121;;R-HSA-349657;;R-HSA-349638;;R-HSA-349637;;R-HSA-349404;;R-HSA-2981040;;R-HSA-266350;;R-HSA-266328;;R-HSA-266315;;R-HSA-266310;;R-HSA-266303;;R-HSA-266299;;R-HSA-266089; |
| Rhea Database Links |
RHEA:50264;;RHEA:50256;;RHEA:46620;;RHEA:46612;;RHEA:46400;;RHEA:46144;;RHEA:46140;;RHEA:46132;;RHEA:46128;;RHEA:45024;;RHEA:43836;;RHEA:42816;;RHEA:42812;;RHEA:42796;;RHEA:42792;;RHEA:41436;;RHEA:39747;;RHEA:39051;;RHEA:36403;;RHEA:36391;;RHEA:35739;;RHE |
| SABIO-RK Database Links |
4455;;2614;;1640;;1634;;14077;;14076;;13527;;13204;;11931;;11930;;11929;;11928;;11927;;10334;;10294;; |
| SMILES |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C;; |
| Secondary ChEBI ID |
CHEBI:23204;;CHEBI:13982;;CHEBI:3659;;CHEBI:41564;; |
| Star |
3;; |
| Synonyms |
cholesterol;;Tegolan;;Super hartolan;;Nimco cholesterol base No. 712;;Nimco cholesterol base H;;Liquid crystal CN/9;;Lanol;;Kathro;;Hydrocerin;;Fancol CH;;Epicholesterol;;Epicholesterin;;Dythol;;Dusoran;;Dusoline;;Dastar;;Cordulan;;Cholestrol;;Cholestrin; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9Z2Z8;;Q9Z2L4;;Q9Z1A6;;Q9Z0Y9;;Q9Z0J0;;Q9Z0F5;;Q9Y6B6;;Q9Y6A2;;Q9Y5Z9;;Q9Y5U4;;Q9Y5C1;;Q9Y2P5;;Q9Y1U9;;Q9XUC4;;Q9XS63;;Q9WVK8;;Q9WTN3;;Q9WFX3;;Q9WCE8;;Q9WCE3;;Q9WCE1;;Q9WCD9;;Q9WCD8;;Q9W735;;Q9VNJ5;;Q9V3T9;;Q9UUJ9;;Q9UU82;;Q9UID3;;Q9UHQ9;;Q9UHC9;;Q9UBP9; |
| ChEBI Image |
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