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5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol

PropertiesImage
MNX_IDMNXM1103020 Image of MNXM1103020
referencechebi:186871
formulaC27H48O5
global charge0
mol weight452.676
InChIKeyOXSBBBPDYVCAKC-JZXYSUIZSA-N
InChIInChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
SMILESC[C@H](CC(O)CC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1 Image of MNXM1103020
SMILES (mnx)[CH3:1][C@H:15]([CH2:10][CH:18]([CH2:14][C:25]([CH3:2])([CH3:3])[OH:32])[OH:29])[C@H:19]1[CH2:6][CH2:7][C@H:20]2[C@H:24]3[C@H:21]([CH2:13][C@H:23]([OH:31])[C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:9][CH2:8][C@@H:17]([OH:28])[CH2:11][C@H:16]1[CH2:12][C@H:22]3[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:186871
chebi:186871
OXSBBBPDYVCAKC-JZXYSUIZSA-N 		5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

lipidmaps:LMST04030038
lipidmapsM:LMST04030038
OXSBBBPDYVCAKC-JZXYSUIZSA-N 		5beta-Cholestane-3alpha,7alpha,12alpha,23,25-pentol
O5
ST 27:0

bigg.metabolite:CE1277
biggM:CE1277
vmhM:CE1277
vmhmetabolite:CE1277
OXSBBBPDYVCAKC-DYOGVICRSA-N
OXSBBBPDYVCAKC-JZXYSUIZSA-N 		5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol
hmdb:HMDB0062421
OXSBBBPDYVCAKC-JZXYSUIZSA-N 		5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R)-4,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,9,16-triol
5b-Cholestane-3a,7a,12a,23,25-pentol

hmdb:HMDB62421
biggM:M_CE1277
vmhM:M_CE1277 		secondary/obsolete/fantasy identifier