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castasterone

MNXM819797 is deprecated and replaced by MNXM736443
PropertiesImage
MNX_IDMNXM736443 Image of MNXM736443
referencechebi:23051
formulaC28H48O5
global charge0
mol weight464.687
InChIKeyVYUIKSFYFRVQLF-YLNAYWRASA-N
InChIInChI=1S/C28H48O5/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/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,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]3CC(=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/C28H48O5/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/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1 Image of MNXM736443
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:22](=[O: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)25
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:23051
chebi:23051
VYUIKSFYFRVQLF-YLNAYWRASA-N 		castasterone
(22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-5alpha-campestan-6-one
(2alpha,3alpha,5alpha,22R,23R,24S)-2,3,22,23-tetrahydroxyergostan-6-one

sabiork.compound:31332
sabiorkM:31332
VYUIKSFYFRVQLF-YLNAYWRASA-N 		Castasterone

lipidmaps:LMST01030129
lipidmapsM:LMST01030129
VYUIKSFYFRVQLF-YLNAYWRASA-N 		Castasterone
6-oxo-campestan-2alpha,3alpha,22R,23R-tetrol
O5
ST 28:1

seed.compound:cpd14530
seedM:cpd14530
VYUIKSFYFRVQLF-YLNAYWRASA-N 		Castasterone
castasterone

metacyc.compound:CPD-634
metacycM:CPD-634
VYUIKSFYFRVQLF-YLNAYWRASA-N 		castasterone
CS

seedM:M_cpd14530 		secondary/obsolete/fantasy identifier