CHEBI:216138 - Haereoplantin 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 Haereoplantin B
ChEBI ID CHEBI:216138
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H60N6O11
Net Charge 0
Average Mass 836.984
Monoisotopic Mass 836.43201
InChI InChI=1S/C43H60N6O11/c1-7-10-11-12-13-14-15-16-33(52)45-31(8-2)39(55)46-32(9-3)40(56)49-36(37(53)25(4)5)42(58)48-35(27-19-23-30(51)24-20-27)41(57)44-29-21-17-28(18-22-29)38(54)47-34(26(6)50)43(59)60/h8-9,17-26,34-37,50-51,53H,7,10-16H2,1-6H3,(H,44,57)(H,45,52)(H,46,55)(H,47,54)(H,48,58)(H,49,56)(H,59,60)/b31-8+,32-9+/t26-,34+,35+,36-,37+/m1/s1
InChIKey RCARJADDGRFRIG-AWAGKXJMSA-N
SMILES O=C(N[C@H](C(=O)O)[C@H](O)C)C1=CC=C(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)/C(/NC(=O)/C(/NC(=O)CCCCCCCCC)=C\C)=C\C)[C@@H](O)C(C)C)C2=CC=C(O)C=C2)C=C1
Metabolite of Species Details
Burkholderia plantarii (NCBI:txid41899) 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 Haereoplantin B (CHEBI:216138) is a polypeptide (CHEBI:15841)
IUPAC Name
(2S,3R)-2-[[4-[[(2S)-2-[[(2R,3S)-2-[[(E)-2-[[(E)-2-(decanoylamino)but-2-enoyl]amino]but-2-enoyl]amino]-3-hydroxy-4-methylpentanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]benzoyl]amino]-3-hydroxybutanoic acid