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CHEBI:211902 - Promoinducin

ChEBI IDCHEBI:211902
ChEBI NamePromoinducin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H54N16O18S2
Net Charge0
Average Mass1315.287
Monoisotopic Mass1314.32434
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)c1nc(oc1C)/C(=C/C)NC(=O)c1csc(n1)C(OC)NC(=O)c1nc(oc1C)/C(=C/C(C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)c1csc-2n1)C(=O)O
InChIInChI=1S/C57H54N16O18S2/c1-13-31-52-71-38(28(10)90-52)49(84)61-24(6)43(78)62-25(7)51-67-34(17-89-51)40-30(14-15-32(64-40)45(80)60-23(5)42(77)58-21(3)41(76)59-22(4)44(79)63-26(8)57(86)87)55-68-36(18-92-55)47(82)70-37(27(9)75)48(83)66-33(16-20(2)74)53-72-39(29(11)91-53)50(85)73-54(88-12)56-69-35(19-93-56)46(81)65-31/h13-20,27,37,54,74-75H,3-8H2,1-2,9-12H3,(H,58,77)(H,59,76)(H,60,80)(H,61,84)(H,62,78)(H,63,79)(H,65,81)(H,66,83)(H,70,82)(H,73,85)(H,86,87)/b31-13-,33-16-/t20?,27-,37+,54?/m1/s1
InChIKeyJCZSQXUGZLDIQU-VTLMBMPDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/mabi.201570023)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Promoinducin (CHEBI:211902) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[2-[2-[2-[[(14S,17Z,31Z)-31-ethylidene-14-[(1R)-1-hydroxyethyl]-17-(2-hydroxypropylidene)-24-methoxy-20,34-dimethyl-38,41-dimethylidene-12,15,22,29,36,39-hexaoxo-19,33,43-trioxa-9,26-dithia-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-carbonyl]amino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoylamino]prop-2-enoic acid
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