EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:146781 - mature microcin B18 zwitterion

ChEBI IDCHEBI:146781
ChEBI Namemature microcin B18 zwitterion
Stars
DefinitionThe current microcin B17, CHEBI:64624 is a precursor, see fig. 2
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC118H156N48O45S4
Net Charge0
Average Mass3095.105
Monoisotopic Mass3093.02770
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)c1coc(CNC(=O)CNC(=O)c2coc(CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)c3coc(-c4csc(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)c5csc(CNC(=O)CNC(=O)c6csc(CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CNC(=O)c7csc(-c8coc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)n8)n7)n6)n5)n4)n3)n2)n1)C(=O)O
InChIInChI=1S/C118H156N48O45S4/c1-7-53(5)100(165-92(191)34-147-114(204)99(122)52(3)4)115(205)148-30-85(184)131-21-79(178)129-19-77(176)127-17-75(174)125-15-73(172)124-16-74(173)126-18-76(175)128-20-78(177)130-22-80(179)135-37-95-156-65(46-210-95)117-164-67(49-215-117)109(199)145-26-84(183)133-31-89(188)151-56(9-10-70(119)169)102(192)140-24-82(181)132-23-81(180)138-38-96-157-66(47-212-96)108(198)144-29-88(187)139-39-97-158-68(48-213-97)113(203)162-61(42-168)112(202)161-59(13-72(121)171)104(194)149-40-98-159-69(50-214-98)116-163-64(45-211-116)107(197)143-25-83(182)134-32-90(189)152-58(12-71(120)170)103(193)141-27-86(185)136-35-93-154-62(43-208-93)105(195)142-28-87(186)137-36-94-155-63(44-209-94)106(196)146-33-91(190)153-60(41-167)111(201)160-57(11-55-14-123-51-150-55)110(200)166-101(118(206)207)54(6)8-2/h14,43-54,56-61,99-101,167-168H,7-13,15-42,122H2,1-6H3,(H2,119,169)(H2,120,170)(H2,121,171)(H,123,150)(H,124,172)(H,125,174)(H,126,173)(H,127,176)(H,128,175)(H,129,178)(H,130,177)(H,131,184)(H,132,181)(H,133,183)(H,134,182)(H,135,179)(H,136,185)(H,137,186)(H,138,180)(H,139,187)(H,140,192)(H,141,193)(H,142,195)(H,143,197)(H,144,198)(H,145,199)(H,146,196)(H,147,204)(H,148,205)(H,149,194)(H,151,188)(H,152,189)(H,153,190)(H,160,201)(H,161,202)(H,162,203)(H,165,191)(H,166,200)(H,206,207)/t53-,54-,56-,57-,58-,59-,60-,61-,99-,100-,101-/m0/s1
InChIKeyVSKYMPAGYGCTFA-PQAXMVAFSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
DNA synthesis inhibitor  Any substance that inhibits the synthesis of DNA.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
mature microcin B18 zwitterion (CHEBI:146781) has role DNA synthesis inhibitor (CHEBI:59517)
mature microcin B18 zwitterion (CHEBI:146781) is a microcin (CHEBI:64627)
Incoming Relation(s)
microcin B17 (CHEBI:64624) has functional parent mature microcin B18 zwitterion (CHEBI:146781)
Synonym  Source
MccB17SUBMITTER
Citations