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lyngbyatoxin C

MNXM168240 is deprecated and replaced by MNXM1100580
PropertiesImage
MNX_IDMNXM1100580 Image of MNXM1100580
referencechebi:188705
formulaC27H39N3O3
global charge0
mol weight453.627
InChIKeyVMLLPMJDAXPWAA-PIKNDIPASA-N
InChIInChI=1S/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1
SMILESC=C[C@@](C)(C/C=C/C(C)(C)O)C1=CC=C2C3=C1NC=C3C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C
MNX internals
InChI (mnx)InChI=1/C27H39N3O3/c1-8-27(6,13-9-12-26(4,5)33)20-10-11-21-22-18(15-28-23(20)22)14-19(16-31)29-25(32)24(17(2)3)30(21)7/h8-12,15,17,19,24,28,31,33H,1,13-14,16H2,2-7H3,(H,29,32)/b12-9+/t19-,24-,27-/m0/s1 Image of MNXM1100580
SMILES (mnx)[CH2:1]=[CH:8][C@@:27]([CH3:6])([CH2:13]/[CH:9]=[CH:12]/[C:26]([CH3:4])([CH3:5])[OH:33])[C:20]1=[C:23]2[C:22]3=[C:21]([CH:11]=[CH:10]1)[N:30]([CH3:7])[C@@H:24]([CH:17]([CH3:2])[CH3:3])[C:25]([OH:32])=[N:29][C@H:19]([CH2:16][OH:31])[CH2:14][C:18]3=[CH:15][NH:28]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:188705
chebi:188705
VMLLPMJDAXPWAA-PIKNDIPASA-N 		lyngbyatoxin C
(10S,13S)-5-[(3R,5E)-7-hydroxy-3,7-dimethylocta-1,5-dien-3-yl]-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Lyngbyatoxin C

metacyc.compound:CPD-18332
metacycM:CPD-18332
seed.compound:cpd33009
seedM:cpd33009
VMLLPMJDAXPWAA-PIKNDIPASA-N 		lyngbyatoxin C

seedM:M_cpd33009 		secondary/obsolete/fantasy identifier