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CHEBI:217435 - Caprazamycin B

ChEBI IDCHEBI:217435
ChEBI NameCaprazamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H87N5O22
Net Charge0
Average Mass1146.292
Monoisotopic Mass1145.58427
SMILESCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)C[C@@H](C)CC(=O)O[C@@H](CCCCCCCCCCC(C)C)CC(=O)O[C@H]2CN(C)[C@@H]([C@@H](O[C@@H]3O[C@H](CN)[C@@H](O)[C@H]3O)[C@H]3O[C@@H](n4ccc(=O)nc4=O)[C@H](O)[C@@H]3O)C(=O)N(C)C2C(=O)O)[C@@H]1OC
InChIInChI=1S/C53H87N5O22/c1-27(2)18-16-14-12-10-11-13-15-17-19-30(75-34(60)22-28(3)23-35(61)78-52-47(73-9)46(72-8)43(71-7)29(4)74-52)24-36(62)76-32-26-56(5)38(48(67)57(6)37(32)50(68)69)44(80-51-42(66)39(63)31(25-54)77-51)45-40(64)41(65)49(79-45)58-21-20-33(59)55-53(58)70/h20-21,27-32,37-47,49,51-52,63-66H,10-19,22-26,54H2,1-9H3,(H,68,69)(H,55,59,70)/t28-,29-,30-,31+,32-,37?,38-,39+,40-,41+,42+,43-,44+,45-,46+,47+,49+,51-,52-/m0/s1
InChIKeyIDKBSYZJTHLMLI-DANJERETSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (12931868)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Caprazamycin B (CHEBI:217435) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,6S)-2-[(R)-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,4-dimethyl-6-[(3S)-14-methyl-3-[(3S)-3-methyl-5-oxo-5-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxypentanoyl]oxypentadecanoyl]oxy-3-oxo-1,4-diazepane-5-carboxylic acid
Manual XrefsDatabases
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