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chetomin

PropertiesImage
MNX_IDMNXM103731 Image of MNXM103731
referencechebi:68741
formulaC31H30N6O6S4
global charge0
mol weight710.885
InChIKeyZRZWBWPDBOVIGQ-UHFFFAOYSA-N
InChIInChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3
SMILESCN1C(=O)C2(CC3=CN(C45CC67SSC(CO)(C(=O)N6C4NC4=CC=CC=C45)N(C)C7=O)C4=CC=CC=C34)SSC1(CO)C(=O)N2C
MNX internals
InChI (mnx)InChI=1/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22?,27?,28?,29?,30?,31? Image of MNXM103731
SMILES (mnx)[CH3:1][N:33]1[C:25](=[O:42])[C:30]2([CH2:15][OH:38])[N:34]([CH3:2])[C:23](=[O:40])[C:28]1([CH2:12][C:17]1=[CH:13][N:36]([C:27]34[CH2:14][C:29]56[C:24](=[O:41])[N:35]([CH3:3])[C:31]([CH2:16][OH:39])([C:26](=[O:43])[N:37]5[CH:22]3[NH:32][C:20]3=[CH:10][CH:6]=[CH:5][CH:9]=[C:19]34)[S:47][S:45]6)[C:21]3=[CH:11][CH:7]=[CH:4][CH:8]=[C:18]13)[S:44][S:46]2
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:68741
chebi:68741
ZRZWBWPDBOVIGQ-UHFFFAOYSA-N 		chetomin
3-(hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1H-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione