CHEBI:220471 - Endopyrrole B

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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 Endopyrrole B
ChEBI ID CHEBI:220471
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H60N8O12
Net Charge 0
Average Mass 856.975
Monoisotopic Mass 856.43307
InChI InChI=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
InChIKey CXGWXLRCEXFRJA-LCCPBSOMSA-N
SMILES O=C(N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)CC2=CC=C(O)C=C2)CO)[C@H](O)C)C(C)C)C(C)C)CCC1)C(C)C)C=3NC=CC3
Metabolite of Species Details
Mycetohabitans rhizoxinica (NCBI:txid412963) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Endopyrrole B (CHEBI:220471) is a polypeptide (CHEBI:15841)