CHEBI:206792 - A10255B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name A10255B
ChEBI ID CHEBI:206792
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H48N16O15S3
Net Charge 0
Average Mass 1245.240
Monoisotopic Mass 1244.26472
InChI InChI=1S/C53H48N16O15S3/c1-10-11-30-50-56-14-33(84-50)45(77)55-17-36-54-15-34(86-36)46(78)63-25(7)51-57-16-35(87-51)47(79)61-23(5)41(73)62-24(6)49-67-31(18-83-49)38-28(52-68-32(19-85-52)44(76)69-37(27(9)70)48(80)66-30)12-13-29(65-38)43(75)60-22(4)40(72)58-20(2)39(71)59-21(3)42(74)64-26(8)53(81)82/h11-16,18-19,25,27,37,70H,2-6,8,10,17H2,1,7,9H3,(H,55,77)(H,58,72)(H,59,71)(H,60,75)(H,61,79)(H,62,73)(H,63,78)(H,64,74)(H,66,80)(H,69,76)(H,81,82)
InChIKey AXXZCCQYZVQWRP-UHFFFAOYSA-N
SMILES S1C=2C(=O)NC(C(=O)NC(C=3OC=C(N3)C4=NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)=C)=C)=C)=C)=CC=C4C=5SC=C(N5)C(=O)NC(C(NC(C=6OC(C(NCC=7SC(C(NC(C1=NC2)C)=O)=CN7)=O)=CN6)=CCC)=O)C(O)C)=C)=C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing A10255B (CHEBI:206792) is a oligopeptide (CHEBI:25676)
IUPAC Name
2-[[2-[[2-[[2-[[12,15,22,29,36,39-hexahydroxy-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-17-propylidene-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),10,12,15,18,20,22,25,27,29,32,34,36,39,42(45)-nonadecaene-4-carbonyl]amino]-1-hydroxyprop-2-enylidene]amino]-1-hydroxyprop-2-enylidene]amino]-1-hydroxyprop-2-enylidene]amino]prop-2-enoic acid