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6alpha-hydroxycastasterone

MNXM723520 is deprecated and here replaced by MNXM1372035
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372035 Image of MNXM1372035
referencechebi:20760
formulaC28H50O5
global charge0
mol weight466.703
InChIKeyCVXIEYXJQSRIAC-KLUYZAHOSA-N
InChIInChI=1S/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1
SMILESCC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1 Image of MNXM1372035
SMILES (mnx)[CH3:1][CH:14]([CH3:2])[C@H:15]([CH3:3])[C@H:25]([C@@H:26]([C@@H:16]([CH3:4])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@@H:17]3[CH2:11][C@H:22]([OH:29])[C@H:21]4[CH2:12][C@H:23]([OH:30])[C@H:24]([OH:31])[CH2:13][C@:28]4([CH3:6])[C@H:20]3[CH2:9][CH2:10][C@:27]12[CH3:5])[OH:33])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20760
chebi:20760
CVXIEYXJQSRIAC-KLUYZAHOSA-N 		6alpha-hydroxycastasterone
(22R,23R,24S)-5alpha-ergostane-2alpha,3alpha,6alpha,22,23-pentol
6alpha-Hydroxycastasterone
6alpha-hydroxy-6-deoxocastasterone
6alpha-hydroxy-castasterone
campestan-2alpha,3alpha,6alpha,22R,23R-pentol

seed.compound:cpd14539
seedM:cpd14539
CVXIEYXJQSRIAC-KLUYZAHOSA-N 		6alpha-Hydroxy-castasterone
6alpha-hydroxy-6-deoxocastasterone
6alpha-hydroxy-castasterone
hydroxydeoxocastasterone

lipidmaps:LMST01030128
lipidmapsM:LMST01030128
CVXIEYXJQSRIAC-KLUYZAHOSA-N 		6alpha-Hydroxycastasterone
O5
ST 28:0
campestan-2alpha,3alpha,6alpha,22R,23R-pentol

metacyc.compound:CPD-724
metacycM:CPD-724
CVXIEYXJQSRIAC-KLUYZAHOSA-N 		6alpha-hydroxy-6-deoxocastasterone
6alpha-hydroxycastasterone
hydroxydeoxocastasterone

chebi:80098
seedM:M_cpd14539 		secondary/obsolete/fantasy identifier