Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:47799 - calcitetrol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
calcitetrol
ChEBI ID
CHEBI:47799
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C27H44O4
Net Charge
0
Average Mass
432.63586
Monoisotopic Mass
432.32396
InChI
InChI=1S/C27H44O4/c1-
17(8-
13-
25(30)
26(3,4)
31)
22-
11-
12-
23-
19(7-
6-
14-
27(22,23)
5)
9-
10-
20-
15-
21(28)
16-
24(29)
18(20)
2/h9-
10,17,21-
25,28-
31H,2,6-
8,11-
16H2,1,3-
5H3/b19-
9+,20-
10-
/t17-
,21-
,22-
,23+,24+,25-
,27-
/m1/s1
InChIKey
WFZKUWGUJVKMHC-UKBUZQLGSA-N
SMILES
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC[C@@H](O)C(C)(C)O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
calcitetrol (
CHEBI:47799
)
has role
human metabolite (
CHEBI:77746
)
calcitetrol (
CHEBI:47799
)
is a
hydroxycalciol (
CHEBI:47042
)
IUPAC Name
(1
S
,3
R
,5
Z
,7
E
,24
R
,25)-
9,10-
secocholesta-
5,7,10(19)-
triene-
1,3,24,25-
tetrol
Synonyms
Sources
1α,24
R
,25(OH)
3
D
3
ChEBI
1α,24
R
,25-trihydroxycholecalciferol
ChEBI
1α,24
R
,25-trihydroxyvitamin D
3
ChEBI
calcitetrol
UniProt
Manual Xref
Database
C18231
KEGG COMPOUND
View more database links
Last Modified
20 April 2015