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CHEBI:220471 - Endopyrrole B

ChEBI IDCHEBI:220471
ChEBI NameEndopyrrole B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H60N8O12
Net Charge0
Average Mass856.975
Monoisotopic Mass856.43307
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cccn1)C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C
InChIInChI=1S/C41H60N8O12/c1-20(2)30(45-36(55)29-11-9-17-49(29)40(59)32(22(5)6)47-34(53)26-10-8-16-42-26)37(56)46-31(21(3)4)38(57)48-33(23(7)51)39(58)44-28(19-50)35(54)43-27(41(60)61)18-24-12-14-25(52)15-13-24/h8,10,12-16,20-23,27-33,42,50-52H,9,11,17-19H2,1-7H3,(H,43,54)(H,44,58)(H,45,55)(H,46,56)(H,47,53)(H,48,57)(H,60,61)/t23-,27+,28-,29+,30+,31-,32+,33+/m1/s1
InChIKeyCXGWXLRCEXFRJA-LCCPBSOMSA-N
Species of MetaboliteComponentSourceComments
Mycetohabitans rhizoxinica (ncbitaxon:412963) - PubMed (31283172)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Endopyrrole B (CHEBI:220471) is a polypeptide (CHEBI:15841)