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calciol

PropertiesImage
MNX_IDMNXM1364326 Image of MNXM1364326
referencechebi:28940
formulaC27H44O
global charge0
mol weight384.648
InChIKeyQYSXJUFSXHHAJI-YRZJJWOYSA-N
InChIInChI=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
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1364326
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH2:8][CH2:6][CH2:9][C@@H:21]([CH3:4])[C@H:25]1[CH2:15][CH2:16][C@H:26]2/[C:22](=[CH:12]/[CH:13]=[C:23]3/[CH2:18][C@@H:24]([OH:28])[CH2:14][CH2:11][C:20]3=[CH2:3])[CH2:10][CH2:7][CH2:17][C@:27]12[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-209767
reactomeM:R-ALL-209767
reactome:R-ALL-8963870
reactomeM:R-ALL-8963870
CHEBI:28940
chebi:28940
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		calciol
(+)-vitamin D3
(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
(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol
CC
Cholecalciferol
Delta-D
Vitamin D3
activated 7-dehydrocholesterol
colecalciferol
oleovitamin D3
vitamin D3

SLM:000000473
slm:000000473
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Calciol

bigg.metabolite:vitd3
biggM:vitd3
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Calciol
(+)-Vitamin D3

vmhM:vitd3
vmhM:vitd3
vmhmetabolite:vitd3
vmhmetabolite:vitd3
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Calciol
(+)-Vitamin D3
(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
(3 beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
(3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
(3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
(5Z,7E)-(3S)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
7-DEHYDROCHOLESTEROL
ACTIVATED
Activated 7-dehydrocholesterol
Anephric patients
Beautification product
CC
Calciol
Cell signaling agent
Cellular membrane
Cephalalgia
Cholecalciferol
Cholecalciferols
Chronic kidney failure
Ckf
Coffee
Coffee bean
Colecalciferol
Cucurbits
Cytoplasma
Delta-D
Digestion
Dihydrocholesterol
End-stage renal disease
Eskd
Esrd
Extracellular region
Fauna
Flora
Gourds
Gramineae
High blood pressure
Hpn
Htn
Hypercalciuria
Kidneys
Legume
Lipid metabolic process
Liver tissue
Membrane integrity agent
Membrane stability agent
Oleovitamin D3
Papilionoideae
Pcp
Personal hygiene
Prostate gland
Signal transduction
Signaling agent
Signalling molecule
Soy
Soya
Soya bean
Soybean
Stage 5 chronic kidney disease
Stage 5 ckd
Surface-active agent
Toiletries
Toiletry
VITAMIN D
Vitamin D 3
Vitamin D3
delta-D

kegg.drug:D00188
keggD:D00188
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Cholecalciferol (JP18/USP)
Colecalciferol (INN)
Delta-D (TN)
Vitamin D3
hmdb:HMDB0000876
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Vitamin D3
(+)-Vitamin D3
(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
(1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
(3 beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
(3b,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
(3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
(5Z,7E)-(3S)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
7-DEHYDROCHOLESTEROL
ACTIVATED
Activated 7-dehydrocholesterol
CC
Calciol
Cholecalciferol
Cholecalciferols
Colecalciferol
Delta-D
Dihydrocholesterol
Oleovitamin D3
VITAMIN D
Vitamin D 3
delta-D
vitamin D3

lipidmaps:LMST03020001
lipidmapsM:LMST03020001
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Vitamin D3
(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol
Vitamin D3

kegg.compound:C05443
keggC:C05443
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Vitamin D3
Calciol
Cholecalciferol

seed.compound:cpd03226
seedM:cpd03226
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Vitamin D3
Calciol
Cholecalciferol
calciol
cholecalciferol
vitamin D3

sabiork.compound:7915
sabiorkM:7915
QYSXJUFSXHHAJI-YRZJJWOYSA-N 		Vitamin D3
Cholecalciferol

hmdb:HMDB0014315
hmdb:HMDB00876
hmdb:HMDB14315
chebi:10008
chebi:23170
chebi:46283
biggM:M_vitd3
keggC:M_C05443
keggD:M_D00188
seedM:M_cpd03226
vmhM:M_vitd3 		secondary/obsolete/fantasy identifier