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staurosporine

PropertiesImage
MNX_IDMNXM4828 Image of MNXM4828
referencechebi:57491
formulaC28H27N4O3
global charge1
mol weight467.549
InChIKeyHKSZLNNOFSGOKW-FYTWVXJKSA-O
InChIInChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/p+1/t17-,20-,26-,28+/m1/s1
SMILESC[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=C(C=CC=C5)N2C4=C31
MNX internals
InChI (mnx)InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 Image of MNXM4828
SMILES (mnx)[CH3:1][C@:28]12[C@H:26]([O:34][CH3:3])[C@H:17]([NH:29][CH3:2])[CH2:12][C@H:20]([N:31]3[C:18]4=[CH:10][CH:6]=[CH:4][CH:8]=[C:14]4[C:22]4=[C:23]5[C:16](=[C:21]6[C:15]7=[CH:9][CH:5]=[CH:7][CH:11]=[C:19]7[N:32]1[C:25]6=[C:24]43)[CH2:13][N:30]=[C:27]5[OH:33])[O:35]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57491
chebi:57491
HKSZLNNOFSGOKW-FYTWVXJKSA-O 		staurosporine
(5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylazaniumyl-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
(5S,6R,7R,9R)-6-methoxy-N,5-dimethyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-aminium
staurosporinium
staurosporinium cation

seed.compound:cpd01410
seedM:cpd01410
HKSZLNNOFSGOKW-FYTWVXJKSA-O 		Staurosporine
AM-2282
STP
STS
staurosporine

kegg.compound:C02079
keggC:C02079
HKSZLNNOFSGOKW-ZGQXJOJZSA-N 		Staurosporine
STS

CHEBI:15738
chebi:15738
HKSZLNNOFSGOKW-FYTWVXJKSA-N 		staurosporine
(+)-Staurosporine
(5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
AM-2282
STS
Staurosporin
Staurosporine
antibiotic AM 2282

metacyc.compound:STAUROSPORINE
metacycM:STAUROSPORINE
HKSZLNNOFSGOKW-FYTWVXJKSA-O 		staurosporine
AM-2282
STP

chebi:15106
chebi:45788
chebi:9252
keggC:M_C02079
seedM:M_cpd01410 		secondary/obsolete/fantasy identifier