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CHEBI:216282 - Miharamycin A

ChEBI IDCHEBI:216282
ChEBI NameMiharamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30N10O9
Net Charge0
Average Mass554.521
Monoisotopic Mass554.21972
SMILESN=C(N)N(O)CCCC(N)C(=O)NC(C(=O)O)[C@H]1O[C@@H](n2cnc3cnc(N)nc32)[C@@H]2OC[C@H](O)[C@]2(O)[C@@H]1O
InChIInChI=1S/C20H30N10O9/c21-7(2-1-3-30(37)18(22)23)15(33)27-10(17(34)35)11-12(32)20(36)9(31)5-38-13(20)16(39-11)29-6-26-8-4-25-19(24)28-14(8)29/h4,6-7,9-13,16,31-32,36-37H,1-3,5,21H2,(H3,22,23)(H,27,33)(H,34,35)(H2,24,25,28)/t7?,9-,10?,11+,12+,13-,16+,20-/m0/s1
InChIKeyQSPCQKVMQODSDN-TVGXWQJGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces miharaensis (ncbitaxon:285483) - 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 A (CHEBI:216282) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[(3S,3aS,4R,5R,7R,7aR)-7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrouro[2,3-c]pyran-5-yl]-2-[[2-amino-5-[carbamimidoyl(hydroxy)amino]pentanoyl]amino]acetic acid