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CHEBI:218805 - (-)-Caprazamycin C

ChEBI IDCHEBI:218805
ChEBI Name(-)-Caprazamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H85N5O22
Net Charge0
Average Mass1132.265
Monoisotopic Mass1131.56862
SMILESCCCCCCCCCCCC[C@@H](CC(=O)O[C@H]1CN(C)[C@@H]([C@H](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(OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C52H85N5O22/c1-9-10-11-12-13-14-15-16-17-18-19-29(74-33(59)22-27(2)23-34(60)77-51-46(72-8)45(71-7)42(70-6)28(3)73-51)24-35(61)75-31-26-55(4)37(47(66)56(5)36(31)49(67)68)43(79-50-41(65)38(62)30(25-53)76-50)44-39(63)40(64)48(78-44)57-21-20-32(58)54-52(57)69/h20-21,27-31,36-46,48,50-51,62-65H,9-19,22-26,53H2,1-8H3,(H,67,68)(H,54,58,69)/t27-,28-,29-,30+,31-,36-,37-,38+,39-,40+,41+,42?,43-,44-,45+,46+,48+,50-,51-/m0/s1
InChIKeyCJMJNPTZWKBBLF-VTPSDOHKSA-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 C (CHEBI:218805) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S,5S,6S)-2-[(S)-[(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,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxypentanoyl]oxypentadecanoyl]oxy-3-oxo-1,4-diazepane-5-carboxylic acid
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78438168ChemSpider