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CHEBI:219853 - Miharamycin B

ChEBI IDCHEBI:219853
ChEBI NameMiharamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N10O8
Net Charge0
Average Mass538.522
Monoisotopic Mass538.22481
SMILESNC(N)=NCCCC(N)C(=O)NC(C(=O)O)C1OC(n2cnc3cnc(N)nc32)C2OCC(O)C2(O)C1O
InChIInChI=1S/C20H30N10O8/c21-7(2-1-3-25-18(22)23)15(33)28-10(17(34)35)11-12(32)20(36)9(31)5-37-13(20)16(38-11)30-6-27-8-4-26-19(24)29-14(8)30/h4,6-7,9-13,16,31-32,36H,1-3,5,21H2,(H,28,33)(H,34,35)(H4,22,23,25)(H2,24,26,29)
InChIKeyJOTXNJQBWBCEHD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(00)81775-x)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Miharamycin B (CHEBI:219853) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-[7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrouro[2,3-c]pyran-5-yl]acetic acid
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