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CHEBI:222208 - Microginin 747B

ChEBI IDCHEBI:222208
ChEBI NameMicroginin 747B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H54ClN5O9
Net Charge0
Average Mass748.318
Monoisotopic Mass747.36101
SMILESCC(NC(=O)C(O)C(N)CCCCCCCCl)C(=O)NC(C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)C
InChIInChI=1S/C37H54ClN5O9/c1-22(2)31(42-33(47)23(3)40-35(49)32(46)28(39)10-8-6-5-7-9-19-38)36(50)43(4)30(21-25-13-17-27(45)18-14-25)34(48)41-29(37(51)52)20-24-11-15-26(44)16-12-24/h11-18,22-23,28-32,44-46H,5-10,19-21,39H2,1-4H3,(H,40,49)(H,41,48)(H,42,47)(H,51,52)
InChIKeySKVUFSAOYWVJAQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microginin 747B (CHEBI:222208) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]propanoylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid