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CHEBI:222973 - A10255G

ChEBI IDCHEBI:222973
ChEBI NameA10255G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H46N16O15S3
Net Charge0
Average Mass1231.238
Monoisotopic Mass1230.24907
SMILESC=C(NC(=O)C(=C)NC(=O)C(=C)NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1cnc(s1)C(C)NC(=O)c1cnc(s1)CNC(=O)c1cnc(o1)C(=CC)NC(=O)C(C(C)O)NC(=O)c1csc-2n1)C(=O)O
InChIInChI=1S/C52H46N16O15S3/c1-10-28-49-55-13-32(83-49)44(76)54-16-35-53-14-33(85-35)45(77)62-24(7)50-56-15-34(86-50)46(78)60-22(5)40(72)61-23(6)48-66-30(17-82-48)37-27(51-67-31(18-84-51)43(75)68-36(26(9)69)47(79)65-28)11-12-29(64-37)42(74)59-21(4)39(71)57-19(2)38(70)58-20(3)41(73)63-25(8)52(80)81/h10-15,17-18,24,26,36,69H,2-6,8,16H2,1,7,9H3,(H,54,76)(H,57,71)(H,58,70)(H,59,74)(H,60,78)(H,61,72)(H,62,77)(H,63,73)(H,65,79)(H,68,75)(H,80,81)
InChIKeyYBOCJDKNYICWMG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo00045a037)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
A10255G (CHEBI:222973) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[2-[2-[2-[[17-ethylidene-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-12,15,22,29,36,39-hexaoxo-43,48-dioxa-9,46,47-trithia-3,13,16,19,23,26,30,33,37,40,45,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,18,20,25,27,32,34,42(45)-tridecaene-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoic acid