Human Interaction Network Ontology

Last uploaded: June 27, 2014
Preferred Name

calciol

Synonyms

(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol

calciol

C27H44O

(+)-vitamin D3

Vitamin D3

vitamin D3

colecalciferol

Cholecalciferol

[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C

(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL

oleovitamin D3

CC

(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

activated 7-dehydrocholesterol

InChIKey=QYSXJUFSXHHAJI-YRZJJWOYSA-N

(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol

Definitions

A seco-cholestane that has formula C27H44O.

ID

http://purl.obolibrary.org/obo/CHEBI_28940

database_cross_reference

DrugBank:DB00169

CiteXplore:19817701

Gmelin:1267613

PDBeChem:VD3

LIPID MAPS:LMST03020001

KEGG COMPOUND:C05443

Beilstein:2339331

LIPID MAPS:LMST03020000

CiteXplore:15876428

CiteXplore:9627702

NIST Chemistry WebBook:67-97-0

KEGG COMPOUND:67-97-0

Wikipedia:Vitamin_D

ChemIDplus:67-97-0

definition

A seco-cholestane that has formula C27H44O.

has_alternative_id

CHEBI:10008

CHEBI:46283

CHEBI:23170

has_exact_synonym

(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol

calciol

has_obo_namespace

chebi_ontology

has_related_synonym

C27H44O

(+)-vitamin D3

Vitamin D3

vitamin D3

colecalciferol

Cholecalciferol

[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C

(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL

oleovitamin D3

CC

(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

activated 7-dehydrocholesterol

InChIKey=QYSXJUFSXHHAJI-YRZJJWOYSA-N

(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol

id

CHEBI:28940

imported from

http://purl.obolibrary.org/obo/chebi.owl

label

calciol

notation

CHEBI:28940

prefixIRI

CHEBI:28940

prefLabel

calciol

subClassOf

http://purl.obolibrary.org/obo/CHEBI_36853

http://purl.obolibrary.org/obo/CHEBI_35341

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