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CHEBI:203266 - Ansacarbamitocin A

ChEBI IDCHEBI:203266
ChEBI NameAnsacarbamitocin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H51ClN4O16
Net Charge0
Average Mass855.291
Monoisotopic Mass854.29886
SMILESCNC(=O)O[C@H]1CC(=O)N([C@H]2O[C@@H](COC(C)=O)[C@H](OC(N)=O)[C@@H](OC)[C@@H]2O)c2cc(cc(O)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@@]12C
InChIInChI=1S/C38H51ClN4O16/c1-17-9-8-10-25(52-6)38(51)15-23(56-36(50)42-38)18(2)32-37(4,59-32)26(57-35(49)41-5)14-27(46)43(21-12-20(11-17)13-22(45)28(21)39)33-29(47)31(53-7)30(58-34(40)48)24(55-33)16-54-19(3)44/h8-10,12-13,18,23-26,29-33,45,47,51H,11,14-16H2,1-7H3,(H2,40,48)(H,41,49)(H,42,50)/b10-8+,17-9+/t18-,23+,24+,25-,26+,29+,30+,31+,32+,33+,37+,38+/m1/s1
InChIKeyITACDTCLIHYDGL-OBMQOXPTSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (17892263)
ChEBI Ontology
Outgoing Relation(s)
Ansacarbamitocin A (CHEBI:203266) is a O-acyl carbohydrate (CHEBI:52782)
Ansacarbamitocin A (CHEBI:203266) is a fatty acid derivative (CHEBI:61697)
IUPAC Name 
[(2S,3S,4S,5S,6S)-3-carbamoyloxy-6-[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-2,5,16-trimethyl-6-(methylcarbamoyloxy)-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-9-yl]-5-hydroxy-4-methoxyoxan-2-yl]methyl acetate
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