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CHEBI:213964 - Mannopeptimycin beta

ChEBI IDCHEBI:213964
ChEBI NameMannopeptimycin beta
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H58N12O15
Net Charge0
Average Mass970.995
Monoisotopic Mass970.41446
SMILESC[C@@H](c1ccccc1)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](O)[C@@H]2CN=C(N)N2[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC(=O)C([C@@H](O)[C@@H]2CN=C(N)N2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C42H58N12O15/c1-17(19-5-3-2-4-6-19)27-37(66)48-21(11-18-7-9-20(57)10-8-18)36(65)52-28(30(59)22-12-46-41(43)50-22)39(68)53-29(38(67)49-23(15-55)35(64)45-14-26(58)51-27)31(60)24-13-47-42(44)54(24)40-34(63)33(62)32(61)25(16-56)69-40/h2-10,17,21-25,27-34,40,55-57,59-63H,11-16H2,1H3,(H2,44,47)(H,45,64)(H,48,66)(H,49,67)(H,51,58)(H,52,65)(H,53,68)(H3,43,46,50)/t17-,21+,22-,23-,24-,25+,27-,28?,29+,30-,31-,32+,33-,34-,40-/m0/s1
InChIKeyYBILMIDCJFLBHS-QVYPULOLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (12175230)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mannopeptimycin beta (CHEBI:213964) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6R,12R,15S)-9-[(S)-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-hydroxymethyl]-6-[(R)-[(4S)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-3-(hydroxymethyl)-12-[(4-hydroxyphenyl)methyl]-15-[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
78439789ChemSpider