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CHEBI:210107 - Litoralimycin A

ChEBI IDCHEBI:210107
ChEBI NameLitoralimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H45N15O10S4
Net Charge0
Average Mass1120.251
Monoisotopic Mass1119.23567
SMILESC=C(NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1nc(oc1C)C(=C)NC(=O)C(=C)NC(=O)c1csc(n1)/C(=C/C)NC(=O)c1csc(n1)[C@H](C)NC(=O)c1csc(n1)CNC(=O)[C@H](C(C)C)NC(=O)c1csc-2n1)C(N)=O
InChIInChI=1S/C48H45N15O10S4/c1-10-26-48-61-29(17-77-48)41(69)53-21(6)38(66)54-22(7)45-63-34(24(9)73-45)35-25(11-12-27(57-35)39(67)52-20(5)37(65)51-19(4)36(49)64)47-60-31(16-76-47)43(71)62-33(18(2)3)44(72)50-13-32-56-28(14-74-32)40(68)55-23(8)46-59-30(15-75-46)42(70)58-26/h10-12,14-18,23,33H,4-7,13H2,1-3,8-9H3,(H2,49,64)(H,50,72)(H,51,65)(H,52,67)(H,53,69)(H,54,66)(H,55,68)(H,58,70)(H,62,71)/b26-10-/t23-,33-/m0/s1
InChIKeyLXDMUITWBXLEAR-DBNUAPAJSA-N
Species of MetaboliteComponentSourceComments
Streptomonospora litoralis (ncbitaxon:2498135) - PubMed (32466459)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Litoralimycin A (CHEBI:210107) is a peptide (CHEBI:16670)
IUPAC Name 
(14S,24S,31Z)-N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-31-ethylidene-24,44-dimethyl-38,41-dimethylidene-12,15,22,29,36,39-hexaoxo-14-propan-2-yl-43-oxa-9,19,26,33-tetrathia-3,13,16,23,30,37,40,45,46,47,48,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,18(48),20,25(47),27,32(46),34,42(45)-tridecaene-4-carboxamide
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