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mycothione

MNXM1935 is deprecated and here replaced by MNXM732149
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732149 Image of MNXM732149
referencechebi:16086
formulaC34H58N4O24S2
global charge0
mol weight970.976
InChIKeyYKSIHFDRGQQOCJ-LHHMOHDTSA-N
InChIInChI=1S/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20-,21-,22+,23-,24+,25+,26+,27+,28+,29-,30-,33+,34+/m0/s1
SMILESCC(=O)N[C@@H](CSSC[C@H](NC(C)=O)C(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20-,21-,22+,23-,24+,25+,26+,27+,28+,29-,30-,33+,34+/m0/s1 Image of MNXM732149
SMILES (mnx)[CH3:1][C:7](=[N:35][C@@H:9]([CH2:5][S:63][S:64][CH2:6][C@@H:10]([C:32](=[N:38][C@@H:14]1[C@@H:18]([OH:46])[C@H:16]([OH:44])[C@@H:12]([CH2:4][OH:40])[O:60][C@@H:34]1[O:62][C@H:30]1[C@H:27]([OH:55])[C@@H:23]([OH:51])[C@H:20]([OH:48])[C@@H:24]([OH:52])[C@H:28]1[OH:56])[OH:58])[N:36]=[C:8]([CH3:2])[OH:42])[C:31](=[N:37][C@@H:13]1[C@@H:17]([OH:45])[C@H:15]([OH:43])[C@@H:11]([CH2:3][OH:39])[O:59][C@@H:33]1[O:61][C@H:29]1[C@H:25]([OH:53])[C@@H:21]([OH:49])[C@H:19]([OH:47])[C@@H:22]([OH:50])[C@H:26]1[OH:54])[OH:57])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-879252
reactomeM:R-ALL-879252
CHEBI:16086
chebi:16086
YKSIHFDRGQQOCJ-LHHMOHDTSA-N 		mycothione
(2R,2'R)-3,3'-disulfanediylbis{2-(acetylamino)-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}tetrahydro-2H-pyran-3-yl]propanamide}
MSSM
Mycothione

sabiork.compound:13567
sabiorkM:13567
YKSIHFDRGQQOCJ-LHHMOHDTSA-N 		Mycothione

seed.compound:cpd08341
seedM:cpd08341
YKSIHFDRGQQOCJ-LHHMOHDTSA-N 		Mycothione
2-acetylamino-3-[2-acetylamino-2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]carbamoyl]ethyl]disulfanyl-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]-propanamide
MSSM
mycothiol disulfide
mycothione

metacyc.compound:MYCOTHIONE
metacycM:MYCOTHIONE
YKSIHFDRGQQOCJ-LHHMOHDTSA-N 		mycothione
2-acetylamino-3-[2-acetylamino-2-[[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]carbamoyl]ethyl]disulfanyl-N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexoxy)-tetrahydropyran-3-yl]-propanamide
MSSM
mycothiol disulfide

chebi:14627
chebi:59603
chebi:7041
seedM:M_cpd08341 		secondary/obsolete/fantasy identifier