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TMC-1C

PropertiesImage
MNX_IDMNXM113583 Image of MNXM113583
referencechebi:66236
formulaC30H38N2O7
global charge0
mol weight538.641
InChIKeyWDPVYGCEBGDANZ-CXLBDHTJSA-N
InChIInChI=1S/C30H38N2O7/c1-4-5-10-20(2)17-21(3)12-15-28(38)31-22-19-30(39,26(36)18-25(22)35)16-9-7-6-8-11-27(37)32-29-23(33)13-14-24(29)34/h6-9,11-12,15-17,19-20,26,33,36,39H,4-5,10,13-14,18H2,1-3H3,(H,31,38)(H,32,37)/b7-6+,11-8+,15-12+,16-9+,21-17+/t20?,26-,30+/m1/s1
SMILESCCCCC(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](O)CC1=O
MNX internals
InChI (mnx)InChI=1/C30H38N2O7/c1-4-5-10-20(2)17-21(3)12-15-28(38)31-22-19-30(39,26(36)18-25(22)35)16-9-7-6-8-11-27(37)32-29-23(33)13-14-24(29)34/h6-9,11-12,15-17,19-20,26,33,36,39H,4-5,10,13-14,18H2,1-3H3,(H,31,38)(H,32,37)/b7-6+,11-8+,15-12+,16-9+,21-17+/t20?,26-,30+/m1/s1 Image of MNXM113583
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:10][CH:20]([CH3:2])/[CH:17]=[C:21]([CH3:3])/[CH:12]=[CH:15]/[C:28](=[N:31]/[C:22]1=[CH:19][C@:30](/[CH:16]=[CH:9]/[CH:7]=[CH:6]/[CH:8]=[CH:11]/[C:27](=[N:32]/[C:29]2=[C:23]([OH:33])[CH2:13][CH2:14][C:24]2=[O:34])[OH:37])([OH:39])[C@H:26]([OH:36])[CH2:18][C:25]1=[O:35])[OH:38]
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:66236
chebi:66236
lipidmaps:LMFA08020205
lipidmapsM:LMFA08020205
WDPVYGCEBGDANZ-CXLBDHTJSA-N 		TMC-1C
(2E,4E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohex-1-en-1-yl]-4,6-dimethyldeca-2,4-dienamide