CHEBI:201045 - Esperamicin P

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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 Esperamicin P
ChEBI ID CHEBI:201045
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C59H80N4O22S5
Net Charge 0
Average Mass 1357.600
Monoisotopic Mass 1356.38678
InChI InChI=1S/C59H80N4O22S5/c1-28(2)60-36-27-77-43(25-39(36)73-8)83-52-50(66)47(63-85-45-24-37(64)53(86-12)31(5)79-45)29(3)80-57(52)82-38-18-16-14-15-17-20-59(71)34(19-21-88-90-89-87-13)46(38)48(62-58(70)76-11)51(67)54(59)84-44-26-42(49(65)30(4)78-44)81-56(69)33-22-40(74-9)41(75-10)23-35(33)61-55(68)32(6)72-7/h14-15,19,22-23,28-31,36-39,42-45,47,49-50,52-54,57,60,63-66,71H,6,21,24-27H2,1-5,7-13H3,(H,61,68)(H,62,70)/b15-14-,34-19+/t29?,30?,31?,36?,37?,38-,39?,42?,43?,44?,45?,47?,49?,50?,52?,53?,54?,57?,59+/m0/s1
InChIKey DKKLHNXVRAMXCI-VHMVMZDYSA-N
SMILES S(SSC)SC/C=C/1\C2=C(NC(=O)OC)C(=O)C([C@@]1(O)C#CC=CC#C[C@@H]2OC3OC(C(NOC4OC(C(SC)C(C4)O)C)C(C3OC5OCC(NC(C)C)C(C5)OC)O)C)OC6OC(C(O)C(C6)OC(=O)C7=C(NC(=O)C(OC)=C)C=C(OC)C(=C7)OC)C
Metabolite of Species Details
Actinomadura verrucosospora (NCBI:txid46165) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Esperamicin P (CHEBI:201045) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
[3-hydroxy-6-[[(2S,5Z,9R,13E)-9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulanyloxan-2-yl)oxyamino]-3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-12-(methoxycarbonylamino)-13-[2-(methyltetrasulanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate