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CHEBI:226091 - (-)-Caprazamycin A

ChEBI IDCHEBI:226091
ChEBI Name(-)-Caprazamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H87N5O22
Net Charge0
Average Mass1146.292
Monoisotopic Mass1145.58427
SMILESCCCCCCCCCCCCC[C@@H](CC(=O)O[C@H]1CN(C)[C@@H](C(O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)nc3=O)[C@H](O)[C@@H]2O)C(=O)N(C)[C@@H]1C(=O)O)OC(=O)C[C@H](C)CC(=O)O[C@@H]1O[C@H](C)[C@@H](OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C53H87N5O22/c1-9-10-11-12-13-14-15-16-17-18-19-20-30(75-34(60)23-28(2)24-35(61)78-52-47(73-8)46(72-7)43(71-6)29(3)74-52)25-36(62)76-32-27-56(4)38(48(67)57(5)37(32)50(68)69)44(80-51-42(66)39(63)31(26-54)77-51)45-40(64)41(65)49(79-45)58-22-21-33(59)55-53(58)70/h21-22,28-32,37-47,49,51-52,63-66H,9-20,23-27,54H2,1-8H3,(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
InChIKeyJOXMICZHYUYJJD-AYLMBEEOSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (16060385)
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 A (CHEBI:226091) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,5S,6S)-2-[[(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)-3-[(3S)-3-methyl-5-oxo-5-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxypentanoyl]oxyhexadecanoyl]oxy-3-oxo-1,4-diazepane-5-carboxylic acid
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