CHEBI:227471 - (-)-Caprazamycin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-Caprazamycin F
ChEBI ID CHEBI:227471
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C51H83N5O22
Net Charge 0
Average Mass 1118.238
Monoisotopic Mass 1117.55297
InChI InChI=1S/C51H83N5O22/c1-25(2)16-14-12-10-11-13-15-17-28(73-32(58)20-26(3)21-33(59)76-50-45(71-9)44(70-8)41(69-7)27(4)72-50)22-34(60)74-30-24-54(5)36(46(65)55(6)35(30)48(66)67)42(78-49-40(64)37(61)29(23-52)75-49)43-38(62)39(63)47(77-43)56-19-18-31(57)53-51(56)68/h18-19,25-30,35-45,47,49-50,61-64H,10-17,20-24,52H2,1-9H3,(H,66,67)(H,53,57,68)/t26-,27+,28-,29+,30-,35-,36-,37+,38-,39+,40+,41+,42?,43-,44+,45+,47+,49-,50-/m0/s1
InChIKey PKWIDCLNQMPNGI-PVRDQFSGSA-N
SMILES O=C1N([C@H](C(=O)O)[C@@H](OC(=O)C[C@@H](OC(=O)C[C@@H](CC(=O)O[C@@H]2O[C@@H]([C@@H](OC)[C@H]([C@H]2OC)OC)C)C)CCCCCCCCC(C)C)CN([C@H]1C(O[C@@H]3O[C@H](CN)[C@H]([C@H]3O)O)[C@H]4O[C@@H](N5C(=O)NC(=O)C=C5)[C@@H]([C@@H]4O)O)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (-)-Caprazamycin F (CHEBI:227471) 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)-12-methyl-3-[(3S)-3-methyl-5-oxo-5-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxypentanoyl]oxytridecanoyl]oxy-3-oxo-1,4-diazepane-5-carboxylic acid
Manual Xref Database
78438373 ChemSpider
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