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CHEBI:220729 - Scytocyclamide B2

ChEBI IDCHEBI:220729
ChEBI NameScytocyclamide B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H110N14O18
Net Charge0
Average Mass1351.653
Monoisotopic Mass1350.81225
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](C(O)C(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/C63H110N14O18/c1-16-18-19-21-37-27-44(82)71-45(30(5)6)57(89)75-48(51(83)31(7)8)59(91)66-34(12)53(85)74-49(52(84)32(9)10)60(92)68-38(23-24-42(64)80)62(94)76(15)50(33(11)17-2)61(93)70-40(28-43(65)81)55(87)73-47(36(14)79)63(95)77-25-20-22-41(77)56(88)69-39(26-29(3)4)54(86)72-46(35(13)78)58(90)67-37/h29-41,45-52,78-79,83-84H,16-28H2,1-15H3,(H2,64,80)(H2,65,81)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,93)(H,71,82)(H,72,86)(H,73,87)(H,74,85)(H,75,89)/t33-,34-,35+,36-,37?,38-,39+,40+,41-,45-,46-,47+,48+,49+,50-,51?,52?/m0/s1
InChIKeyZDTMYQLDHDONSC-NOSQDEANSA-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 B2 (CHEBI:220729) is a polypeptide (CHEBI:15841)