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CHEBI:220734 - Scytocyclamide B3

ChEBI IDCHEBI:220734
ChEBI NameScytocyclamide B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H110N14O17
Net Charge0
Average Mass1335.654
Monoisotopic Mass1334.81734
SMILESCCCCCC1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H]([C@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIInChI=1S/C63H110N14O17/c1-16-18-19-21-38-28-46(82)72-47(32(7)8)58(89)75-50(52(83)33(9)10)60(91)66-35(12)53(84)69-40(26-30(3)4)54(85)68-39(23-24-44(64)80)62(93)76(15)51(34(11)17-2)61(92)71-42(29-45(65)81)56(87)74-49(37(14)79)63(94)77-25-20-22-43(77)57(88)70-41(27-31(5)6)55(86)73-48(36(13)78)59(90)67-38/h30-43,47-52,78-79,83H,16-29H2,1-15H3,(H2,64,80)(H2,65,81)(H,66,91)(H,67,90)(H,68,85)(H,69,84)(H,70,88)(H,71,92)(H,72,82)(H,73,86)(H,74,87)(H,75,89)/t34-,35-,36+,37-,38?,39-,40+,41+,42+,43-,47-,48-,49+,50+,51-,52?/m0/s1
InChIKeyFIBARFWLQNLEOK-LYMHVENWSA-N
Species of MetaboliteComponentSourceComments
Scytonema hofmannii PCC 7110 (ncbitaxon:128403) - PubMed (33042096)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Scytocyclamide B3 (CHEBI:220734) is a polypeptide (CHEBI:15841)