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EI-1625-2

PropertiesImage
MNX_IDMNXM104806 Image of MNXM104806
referencechebi:65824
formulaC27H32N2O7
global charge0
mol weight496.56
InChIKeyLEERCZRUWSNMMK-GIWWSJOHSA-N
InChIInChI=1S/C27H32N2O7/c1-3-4-9-17(2)11-14-22(33)28-18-16-27(35,26-25(36-26)24(18)34)15-8-6-5-7-10-21(32)29-23-19(30)12-13-20(23)31/h5-8,10-11,14-17,25-26,30,35H,3-4,9,12-13H2,1-2H3,(H,28,33)(H,29,32)/b6-5+,10-7+,14-11+,15-8+/t17?,25-,26-,27-/m1/s1
SMILESCCCCC(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/C27H32N2O7/c1-3-4-9-17(2)11-14-22(33)28-18-16-27(35,26-25(36-26)24(18)34)15-8-6-5-7-10-21(32)29-23-19(30)12-13-20(23)31/h5-8,10-11,14-17,25-26,30,35H,3-4,9,12-13H2,1-2H3,(H,28,33)(H,29,32)/b6-5+,10-7+,14-11+,15-8+/t17?,25-,26-,27-/m1/s1 Image of MNXM104806
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:9][CH:17]([CH3:2])/[CH:11]=[CH:14]/[C:22](=[N:28]/[C:18]1=[CH:16][C@@:27](/[CH:15]=[CH:8]/[CH:6]=[CH:5]/[CH:7]=[CH:10]/[C:21](=[N:29]/[C:23]2=[C:19]([OH:30])[CH2:12][CH2:13][C:20]2=[O:31])[OH:32])([OH:35])[C@H:26]2[C@@H:25]([C:24]1=[O:34])[O:36]2)[OH:33]
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:65824
chebi:65824
lipidmaps:LMFA08020174
lipidmapsM:LMFA08020174
LEERCZRUWSNMMK-GIWWSJOHSA-N 		EI-1625-2
(2E)-N-[(1S,5R,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]-4-methyloct-2-enamide