Wikidata

(Q83010539)

English

Avicatonin

chemical compound

In more languages

Statements

mass
3,320.809239360003 dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄₇H₂₄₅N₄₁O₄₆
0 references
canonical SMILES
CCCC(O)=NC(C)C(O)=NC(CO)C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(C(O)=NC(CC)C(O)=NC(C(O)=NC(CC(C)C)C(O)=NCC(O)=NC(CCCCN)C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(CCC(=N)O)C(O)=NC(CCC(=O)O)C(O)=NC(CC(C)C)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(CCCCN)C(O)=NC(CC(C)C)C(O)=NC(CCC(=N)O)C(O)=NC(C(O)=NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(O)=NC(CCCNC(=N)N)C(O)=NC(C(O)=NC(CC(=O)O)C(O)=NC(C(O)=NCC(O)=NC(C)C(O)=NCC(O)=NC(C(=O)N1CCCC1C(=N)O)C(C)O)C(C)C)C(C)O)C(C)O)C(C)C)C(C)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O
1 reference
based on heuristic
inferred from InChI

Identifiers

InChI
InChI=1S/C147H245N41O46/c1-23-32-107(199)161-77(18)121(209)178-100(65-189)137(225)173-96(57-73(11)12)133(221)180-102(67-191)138(226)186-115(78(19)192)142(230)164-85(24-2)123(211)183-114(75(15)16)141(229)175-92(53-69(3)4)122(210)158-63-109(201)163-86(33-25-27-48-148)124(212)170-95(56-72(9)10)132(220)179-101(66-190)136(224)168-89(42-45-105(150)197)126(214)166-91(44-47-111(203)204)127(215)172-94(55-71(7)8)131(219)174-97(59-83-61-155-68-160-83)134(222)165-87(34-26-28-49-149)125(213)171-93(54-70(5)6)130(218)167-90(43-46-106(151)198)129(217)185-117(80(21)194)144(232)177-99(58-82-38-40-84(196)41-39-82)145(233)188-52-31-37-104(188)139(227)169-88(35-29-50-156-147(153)154)128(216)184-116(79(20)193)143(231)176-98(60-112(205)206)135(223)182-113(74(13)14)140(228)159-62-108(200)162-76(17)120(208)157-64-110(202)181-118(81(22)195)146(234)187-51-30-36-103(187)119(152)207/h38-41,61,68-81,85-104,113-118,189-196H,23-37,42-60,62-67,148-149H2,1-22H3,(H2,150,197)(H2,151,198)(H2,152,207)(H,155,160)(H,157,208)(H,158,210)(H,159,228)(H,161,199)(H,162,200)(H,163,201)(H,164,230)(H,165,222)(H,166,214)(H,167,218)(H,168,224)(H,169,227)(H,170,212)(H,171,213)(H,172,215)(H,173,225)(H,174,219)(H,175,229)(H,176,231)(H,177,232)(H,178,209)(H,179,220)(H,180,221)(H,181,202)(H,182,223)(H,183,211)(H,184,216)(H,185,217)(H,186,226)(H,203,204)(H,205,206)(H4,153,154,156)/t76-,77-,78+,79+,80+,81+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-,116-,117-,118-/m0/s1
0 references
 
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