CHEBI:29583 - Fengycin

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ChEBI Name Fengycin ChEBI ID CHEBI:29583 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C72H110N12O20 Net Charge 0 Average Mass 1463.715 Monoisotopic Mass 1462.79593 InChI InChI=1S/C72H110N12O20/c1-6-8-9-10-11-12-13-14-15-16-17-20-48(87)41-58(89)76-51(32-35-59(90)91)65(96)77-50(21-18-37-73)64(95)80-55-40-46-25-29-49(30-26-46)104-72(103)61(42(3)7-2)82-67(98)54(39-45-23-27-47(86)28-24-45)81-66(97)52(31-34-57(74)88)78-69(100)56-22-19-38-84(56)71(102)43(4)75-63(94)53(33-36-60(92)93)79-70(101)62(44(5)85)83-68(55)99/h23-30,42-44,48,50-56,61-62,85-87H,6-22,31-41,73H2,1-5H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)/t42-,43-,44+,48?,50-,51+,52+,53+,54+,55-,56+,61+,62+/m1/s1 InChIKey CUOJDWBMJMRDHN-RLLVTFBRSA-N SMILES CCCCCCCCCCCCCC(O)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](CCCN)C(=O)N[C@@H]1Cc2ccc(OC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC1=O)[C@H](C)O)[C@H](C)CC)cc2 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 Fengycin (CHEBI:29583) is a cyclodepsipeptide (CHEBI:35213) Synonym Source Fengycin KEGG COMPOUND Manual Xref Database C12042 KEGG COMPOUND View more database links Registry Number Type Source 102577-03-7 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014