CHEBI:208671 - Laxaphycin A

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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 Laxaphycin A
ChEBI ID CHEBI:208671
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000085646088
Download Molfile XML SDF
Formula C60H97N11O14
Net Charge 0
Average Mass 1196.499
Monoisotopic Mass 1195.72165
InChI InChI=1S/C60H97N11O14/c1-11-15-17-22-39-30-48(75)63-42(23-25-72)53(78)64-41(14-4)60(85)71-33-40(74)31-47(71)57(82)65-43(24-26-73)54(79)67-46(29-38-20-18-16-19-21-38)55(80)66-45(28-35(7)8)56(81)69-51(37(10)13-3)59(84)70-50(36(9)12-2)58(83)68-44(27-34(5)6)52(77)61-32-49(76)62-39/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33H2,1-10H3,(H,61,77)(H,62,76)(H,63,75)(H,64,78)(H,65,82)(H,66,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)/b41-14+/t36-,37-,39?,40+,42-,43-,44-,45+,46+,47?,50+,51-/m0/s1
InChIKey AQBJITSSPIIUAM-CCBYSCTGSA-N
SMILES O=C/1N2C(C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@H](CC)C)C(N[C@H](C(NCC(NC(CC(N[C@H](C(N\C1=C\C)=O)CCO)=O)CCCCC)=O)=O)CC(C)C)=O)[C@H](CC)C)CC(C)C)CC3=CC=CC=C3)CCO)C[C@H](C2)O
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
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 Laxaphycin A (CHEBI:208671) is a peptide (CHEBI:16670)
IUPAC Name
(3E,6S,16S,19R,22S,25R,28R,31S,36R)-28-benzyl-19,22-bis[(2S)-butan-2-yl]-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone
Manual Xref Database
17214503 ChemSpider
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