CHEBI:213078 - Juanlimycin A

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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 Juanlimycin A
ChEBI ID CHEBI:213078
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H40N4O12
Net Charge 0
Average Mass 840.842
Monoisotopic Mass 840.26427
InChI InChI=1S/C46H40N4O12/c1-23-11-15-35(53)29-19-25(51)21-33-39(29)46(44(62)48-33,50-32-10-6-4-8-28(32)42(59)60)38(56)18-14-24(2)12-16-36(54)30-20-26(52)22-34-40(30)45(43(61)47-34,37(55)17-13-23)49-31-9-5-3-7-27(31)41(57)58/h3-14,17-22,35-36,49-54H,15-16H2,1-2H3,(H,47,61)(H,48,62)(H,57,58)(H,59,60)/b17-13+,18-14?,23-11+,24-12+/t35-,36-,45-,46+/m0/s1
InChIKey HIFWMBFGGRILDI-PJQIOJTBSA-N
SMILES O=C1C=CC(=CC[C@H](O)C2=C3C(NC([C@@]3(NC4=C(C(=O)O)C=CC=C4)C(=O)C=CC(=CC[C@@H](C5=C6[C@]1(NC7=C(C(=O)O)C=CC=C7)C(=O)NC6=CC(=C5)O)O)C)=O)=CC(=C2)O)C
Metabolite of Species Details
Streptomycesspecies LC6 (NCBI:txid1245506) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 Juanlimycin A (CHEBI:213078) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name
2-[[(2S,4E,9S,17S,19E,21E,24R)-24-(2-carboxyanilino)-2,14,17,29-tetrahydroxy-5,20-dimethyl-8,10,23,25-tetraoxo-11,26-diazapentacyclo[22.6.1.19,12.027,31.016,32]dotriaconta-1(31),4,6,12,14,16(32),19,21,27,29-decaen-9-yl]amino]benzoic acid