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EI-1511-5

PropertiesImage
MNX_IDMNXM104805 Image of MNXM104805
referencechebi:65823
formulaC29H32N2O7
global charge0
mol weight520.582
InChIKeyOTILGUINRVYYKM-BSZZVILASA-N
InChIInChI=1S/C29H32N2O7/c1-3-19(2)12-8-4-5-9-13-23(34)30-20-18-29(37,28-27(38-28)26(20)36)17-11-7-6-10-14-24(35)31-25-21(32)15-16-22(25)33/h4-14,17-19,27-28,32,37H,3,15-16H2,1-2H3,(H,30,34)(H,31,35)/b5-4+,7-6+,12-8+,13-9+,14-10+,17-11+/t19?,27-,28-,29+/m1/s1
SMILESCCC(C)/C=C/C=C/C=C/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O
MNX internals
InChI (mnx)InChI=1/C29H32N2O7/c1-3-19(2)12-8-4-5-9-13-23(34)30-20-18-29(37,28-27(38-28)26(20)36)17-11-7-6-10-14-24(35)31-25-21(32)15-16-22(25)33/h4-14,17-19,27-28,32,37H,3,15-16H2,1-2H3,(H,30,34)(H,31,35)/b5-4+,7-6+,12-8+,13-9+,14-10+,17-11+/t19?,27-,28-,29+/m1/s1 Image of MNXM104805
SMILES (mnx)[CH3:1][CH2:3][CH:19]([CH3:2])/[CH:12]=[CH:8]/[CH:4]=[CH:5]/[CH:9]=[CH:13]/[C:23](=[N:30]/[C:20]1=[CH:18][C@:29](/[CH:17]=[CH:11]/[CH:7]=[CH:6]/[CH:10]=[CH:14]/[C:24](=[N:31]/[C:25]2=[C:21]([OH:32])[CH2:15][CH2:16][C:22]2=[O:33])[OH:35])([OH:37])[C@H:28]2[C@@H:27]([C:26]1=[O:36])[O:38]2)[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65823
chebi:65823
lipidmaps:LMFA08020173
lipidmapsM:LMFA08020173
OTILGUINRVYYKM-BSZZVILASA-N 		EI-1511-5
(2E,4E,6E)-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-8-methyldeca-2,4,6-trienamide