CHEBI:220143 - Variobactin 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 Variobactin B
ChEBI ID CHEBI:220143
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H79N11O17
Net Charge 0
Average Mass 1046.187
Monoisotopic Mass 1045.56554
InChI InChI=1S/C45H79N11O17/c1-5-6-7-8-9-10-11-20-34(60)49-29(18-14-23-55(71)27(3)58)37-26(2)38(62)54-35(36(61)43(67)68)42(66)53-33(25-57)41(65)51-30(16-12-21-46)39(63)50-31(17-13-22-48-45(47)70)40(64)52-32(44(69)73-37)19-15-24-56(72)28(4)59/h26,29-33,35-37,57,61,71-72H,5-25,46H2,1-4H3,(H,49,60)(H,50,63)(H,51,65)(H,52,64)(H,53,66)(H,54,62)(H,67,68)(H3,47,48,70)
InChIKey VZLKLSFDPFHEHA-UHFFFAOYSA-N
SMILES O=C1OC(C(C(=O)NC(C(=O)NC(CO)C(NC(C(NC(C(NC1CCCN(O)C(=O)C)=O)CCCNC(=O)N)=O)CCCN)=O)C(O)C(=O)O)C)C(NC(=O)CCCCCCCCC)CCCN(O)C(=O)C
Metabolite of Species Details
Variovorax paradoxus S110 (NCBI:txid543728) 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 Variobactin B (CHEBI:220143) is a cyclodepsipeptide (CHEBI:35213)