CHEBI:80079 - Spicamycin

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ChEBI Name Spicamycin
ChEBI ID CHEBI:80079
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H51N7O7
Net Charge 0
Average Mass 621.76860
Monoisotopic Mass 621.38500
InChI InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37)
InChIKey YBZRLMLGUBIIDN-UHFFFAOYSA-N
SMILES CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3nc[nH]c23)OC1C(O)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Spicamycin (CHEBI:80079) is a N-acyl-amino acid (CHEBI:51569)
Manual Xref Database
C15751 KEGG COMPOUND
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Registry Number Type Source
87099-85-2 CAS Registry Number KEGG COMPOUND