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CHEBI:221095 - Marinostatin

ChEBI IDCHEBI:221095
ChEBI NameMarinostatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H83N15O21S
Net Charge0
Average Mass1382.475
Monoisotopic Mass1381.56087
SMILESCSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)OC(=O)C[C@@H]2NC(=O)[C@H](COC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC1=O
InChIInChI=1S/C60H83N15O21S/c1-29(65-49(83)34(61)23-31-9-5-4-6-10-31)48(82)74-47-30(2)96-46(81)26-39-53(87)72-41(27-76)54(88)69-38(52(86)68-37(59(93)94)17-18-44(78)79)25-45(80)95-28-42(55(89)70-39)73-56(90)43-12-8-21-75(43)58(92)40(24-32-13-15-33(77)16-14-32)71-50(84)35(11-7-20-64-60(62)63)66-51(85)36(19-22-97-3)67-57(47)91/h4-6,9-10,13-16,29-30,34-43,47,76-77H,7-8,11-12,17-28,61H2,1-3H3,(H,65,83)(H,66,85)(H,67,91)(H,68,86)(H,69,88)(H,70,89)(H,71,84)(H,72,87)(H,73,90)(H,74,82)(H,78,79)(H,93,94)(H4,62,63,64)/t29-,30+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
InChIKeyJZUVZIYGKYSJHT-JFCKRRLISA-N
Species of MetaboliteComponentSourceComments
Alteromonasspecies (ncbitaxon:232) - PubMed (15709758)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Marinostatin (CHEBI:221095) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(1S,4S,10S,13S,16S,19S,20R,24S,27S,30S)-19-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-13-[3-(diaminomethylideneamino)propyl]-27-(hydroxymethyl)-10-[(4-hydroxyphenyl)methyl]-20-methyl-16-(2-methylsulanylethyl)-3,9,12,15,18,22,25,28,32,35-decaoxo-21,33-dioxa-2,8,11,14,17,26,29,36-octazatricyclo[22.10.2.04,8]hexatriacontane-30-carbonyl]amino]pentanedioic acid
Manual XrefsDatabases
23311875ChemSpider