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CHEBI:220904 - Microviridin K

ChEBI IDCHEBI:220904
ChEBI NameMicroviridin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC83H103N17O25S
Net Charge0
Average Mass1770.898
Monoisotopic Mass1769.70317
SMILESCSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(C)=O)[C@H](C)OC(=O)C[C@@H]2NC(=O)[C@@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4cnc5ccccc45)NC2=O)C(=O)N[C@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)CCC(=O)NCCCC[C@@H](NC1=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3
InChIInChI=1S/C83H103N17O25S/c1-42-70(99-78(117)59(37-65(84)105)89-67(107)40-87-71(110)57(88-43(2)101)33-44-13-19-48(102)20-14-44)81(120)93-56(29-32-126-3)75(114)90-53-11-6-7-30-85-66(106)27-25-54(74(113)97-62(83(122)123)35-46-17-23-50(104)24-18-46)91-73(112)55-26-28-68(108)124-41-63(98-80(119)64-12-8-31-100(64)82(121)61(96-72(53)111)34-45-15-21-49(103)22-16-45)79(118)95-60(38-69(109)125-42)77(116)94-58(76(115)92-55)36-47-39-86-52-10-5-4-9-51(47)52/h4-5,9-10,13-24,39,42,53-64,70,86,102-104H,6-8,11-12,25-38,40-41H2,1-3H3,(H2,84,105)(H,85,106)(H,87,110)(H,88,101)(H,89,107)(H,90,114)(H,91,112)(H,92,115)(H,93,120)(H,94,116)(H,95,118)(H,96,111)(H,97,113)(H,98,119)(H,99,117)(H,122,123)/t42-,53+,54-,55-,56-,57+,58-,59+,60-,61+,62+,63-,64-,70-/m0/s1
InChIKeyFNVONONIUIBRLO-KSAWYIFTSA-N
Species of MetaboliteComponentSourceComments
Planktothrix agardhii (ncbitaxon:1160) - PubMed (19035375)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microviridin K (CHEBI:220904) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(1R,4R,10S,13S,19S,22S,25S,29S,30S,33S,44S)-30-[[(2R)-2-[[2-[[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylsulanylethyl)-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontane-44-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid