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CHEBI:205878 - Trichamide

Default Structure
ChEBI IDCHEBI:205878
ChEBI NameTrichamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H66N16O12S2
Net Charge0
Average Mass1099.268
Monoisotopic Mass1098.44875
SMILESCC(C)CC1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cncn2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)c2csc(n2)C(CO)NC(=O)c2csc1n2
InChIInChI=1S/C46H66N16O12S2/c1-22(2)11-26-40(71)58-29(13-24-15-49-21-53-24)45(74)62-10-6-8-33(62)42(73)56-25(7-5-9-50-46(47)48)39(70)57-28(12-23(3)4)43-61-32(20-75-43)41(72)59-30(18-63)44-60-31(19-76-44)38(69)52-17-35(65)55-27(14-36(66)67)37(68)51-16-34(64)54-26/h15,19-23,25-30,33,63H,5-14,16-18H2,1-4H3,(H,49,53)(H,51,68)(H,52,69)(H,54,64)(H,55,65)(H,56,73)(H,57,70)(H,58,71)(H,59,72)(H,66,67)(H4,47,48,50)/t25-,26-,27-,28?,29-,30?,33-/m0/s1
InChIKeyWLYAGLFEKFHTPS-NXHAJBFBSA-N
Species of MetaboliteComponentSourceComments
Trichodesmium erythraeum (ncbitaxon:1206) - PubMed (16751554)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Trichamide (CHEBI:205878) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(12S,15S,21S,24S,30S)-12-[3-(diaminomethylideneamino)propyl]-2-(hydroxymethyl)-21-(1H-imidazol-5-ylmethyl)-9,24-bis(2-methylpropyl)-4,11,14,20,23,26,29,32,35-nonaoxo-7,38-dithia-3,10,13,19,22,25,28,31,34,39,40-undecazatetracyclo[34.2.1.15,8.015,19]tetraconta-1(39),5,8(40),36-tetraen-30-yl]acetic acid
Manual XrefsDatabases
10481407ChemSpider