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CHEBI:220163 - Variochelin A

ChEBI IDCHEBI:220163
ChEBI NameVariochelin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H83N11O17
Net Charge0
Average Mass1074.241
Monoisotopic Mass1073.59684
SMILESCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)[C@H](O)C(=O)O
InChIInChI=1S/C47H83N11O17/c1-5-6-7-8-9-10-11-12-13-22-36(62)51-31(18-14-23-50-47(48)49)38(63)28(2)40(65)55-37(39(64)46(72)73)43(68)54-34(27-59)44(69)56-24-17-21-35(56)42(67)52-32(19-15-25-57(74)29(3)60)41(66)53-33(45(70)71)20-16-26-58(75)30(4)61/h28,31-35,37-39,59,63-64,74-75H,5-27H2,1-4H3,(H,51,62)(H,52,67)(H,53,66)(H,54,68)(H,55,65)(H,70,71)(H,72,73)(H4,48,49,50)/t28-,31-,32-,33-,34+,35-,37-,38-,39-/m0/s1
InChIKeyGRFONBIZQKDBOK-GVMUGWJFSA-N
Species of MetaboliteComponentSourceComments
Variovorax boronicumulans (ncbitaxon:436515) - PubMed (27023373)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Variochelin A (CHEBI:220163) is a polypeptide (CHEBI:15841)