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calciol

Properties Image with InChI numbering Occurences in reactions MNX_ID MNXM1365754 #reac in my sandbox 0 in MNXref (generic) 19 in models (compartimentalized) 10 formula C27H44O charge 0 mass 384.648 reference chebi:28940 InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-N InChI 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 SMILES [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]

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Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-209767 reactomeM:R-ALL-209767 reactome:R-ALL-8963870 reactomeM:R-ALL-8963870 CHEBI:28940 chebi:28940	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	Calciol
bigg.metabolite:vitd3 biggM:vitd3	Calciol (+)-Vitamin D3
kegg.drug:D00188 keggD:D00188	Cholecalciferol (JP18/USP) Colecalciferol (INN) Delta-D (TN) Vitamin D3
hmdb:HMDB0000876	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	Vitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol Vitamin D3
kegg.compound:C05443 keggC:C05443	Vitamin D3 Calciol Cholecalciferol
seed.compound:cpd03226 seedM:cpd03226	Vitamin D3 Calciol Cholecalciferol calciol cholecalciferol vitamin D3
sabiork.compound:7915 sabiorkM:7915	Vitamin D3 Cholecalciferol
vmhM:vitd3 vmhM:vitd3 vmhmetabolite:vitd3 vmhmetabolite:vitd3	calciol (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
hmdb:HMDB0014315 hmdb:HMDB00876 hmdb:HMDB14315 chebi:10008 chebi:23170 chebi:46283 biggM:M_vitd3 keggC:M_C05443 keggD:M_D00188 seedM:M_cpd03226	secondary/obsolete/fantasy identifier